4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine

C88H83ClN18O5 — CID 158902962

IUPAC4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine
SMILESCC(N)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1.COc1ccc(CN2CN(C)C(=O)c3c(Cl)ncnc32)cc1.COc1ccc(CN2CN(C)C(=O)c3c(NC(C)c4cc5ccccc5nc4-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C32H30N6O2.C24H22N6O.C17H16N2.C15H15ClN4O2/c1-21(26-17-24-11-7-8-12-27(24)36-29(26)23-9-5-4-6-10-23)35-30-28-31(34-19-33-30)38(20-37(2)32(28)39)18-22-13-15-25(40-3)16-14-22;1-15(28-23-20-22(25-13-26-23)27-14-30(2)24(20)31)18-12-17-10-6-7-11-19(17)29-21(18)16-8-4-3-5-9-16;1-12(18)15-11-14-9-5-6-10-16(14)19-17(15)13-7-3-2-4-8-13;1-19-9-20(7-10-3-5-11(22-2)6-4-10)14-12(15(19)21)13(16)17-8-18-14/h4-17,19,21H,18,20H2,1-3H3,(H,33,34,35);3-13,15H,14H2,1-2H3,(H2,25,26,27,28);2-12H,18H2,1H3;3-6,8H,7,9H2,1-2H3
InChIKeyJFRHWIDVNPGWNU-UHFFFAOYSA-N
MW1508.21 g/mol
LogP16.35
Rot. Bonds16

About 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine

4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine (PubChem CID 158902962) has the molecular formula C88H83ClN18O5 and a molecular weight of 1508.21 g/mol. Its IUPAC name is 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine
PubChem CID158902962
Molecular FormulaC88H83ClN18O5
Molecular Weight1508.21 g/mol
Exact Mass1506.65
IUPAC Name4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine
SMILESCC(N)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1.COc1ccc(CN2CN(C)C(=O)c3c(Cl)ncnc32)cc1.COc1ccc(CN2CN(C)C(=O)c3c(NC(C)c4cc5ccccc5nc4-c4ccccc4)ncnc32)cc1
InChIInChI=1S/C32H30N6O2.C24H22N6O.C17H16N2.C15H15ClN4O2/c1-21(26-17-24-11-7-8-12-27(24)36-29(26)23-9-5-4-6-10-23)35-30-28-31(34-19-33-30)38(20-37(2)32(28)39)18-22-13-15-25(40-3)16-14-22;1-15(28-23-20-22(25-13-26-23)27-14-30(2)24(20)31)18-12-17-10-6-7-11-19(17)29-21(18)16-8-4-3-5-9-16;1-12(18)15-11-14-9-5-6-10-16(14)19-17(15)13-7-3-2-4-8-13;1-19-9-20(7-10-3-5-11(22-2)6-4-10)14-12(15(19)21)13(16)17-8-18-14/h4-17,19,21H,18,20H2,1-3H3,(H,33,34,35);3-13,15H,14H2,1-2H3,(H2,25,26,27,28);2-12H,18H2,1H3;3-6,8H,7,9H2,1-2H3
InChIKeyJFRHWIDVNPGWNU-UHFFFAOYSA-N
XLogP16.35
TPSA263.99 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001508.21
LogP ≤ 516.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427765
2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 134427766
4-[[(1S)-1-(5-chloro-3-cyclohexa-1,3-dien-1-yl-4-oxoquinazolin-2-yl)ethyl]amino]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134446038
4-chloro-6-cyclopropyl-8-[(4-methoxyphenyl)methyl]-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427795
4-[(2S)-2-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 140862232
2-amino-4-[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethylamino]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427757
4-[[(1S)-1-(2-phenylquinolin-3-yl)ethyl]amino]-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137294795
2-amino-4-[1-[5-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethylamino]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 134427763
1-methyl-N-[1-(2-phenylquinolin-3-yl)ethyl]-2H-pyrimidin-5-amine
CID 175126392
4-[(2S)-2-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]pyrrolidin-1-yl]-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 140862233
2-[(4-methoxyphenyl)methyl]-4-(1-phenylethylamino)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134176581
N-[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 118498301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine?
The IUPAC name of 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine (CID 158902962) is 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine.
What is the SMILES notation for 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine?
The canonical SMILES for 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine is CC(N)c1cc2ccccc2nc1-c1ccccc1.CC(Nc1ncnc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1.COc1ccc(CN2CN(C)C(=O)c3c(Cl)ncnc32)cc1.COc1ccc(CN2CN(C)C(=O)c3c(NC(C)c4cc5ccccc5nc4-c4ccccc4)ncnc32)cc1.
What is the InChIKey of 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine?
The InChIKey is JFRHWIDVNPGWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2.C24H22N6O.C17H16N2.C15H15ClN4O2/c1-21(26-17-24-11-7-8-12-27(24)36-29(26)23-9-5-4-6-10-23)35-30-28-31(34-19-33-30)38(20-37(2)32(28)39)18-22-13-15-25(40-3)16-14-22;1-15(28-23-20-22(25-13-26-23)27-14-30(2)24(20)31)18-12-17-10-6-7-11-19(17)29-21(18)16-8-4-3-5-9-16;1-12(18)15-11-14-9-5-6-10-16(14)19-17(15)13-7-3-2-4-8-13;1-19-9-20(7-10-3-5-11(22-2)6-4-10)14-12(15(19)21)13(16)17-8-18-14/h4-17,19,21H,18,20H2,1-3H3,(H,33,34,35);3-13,15H,14H2,1-2H3,(H2,25,26,27,28);2-12H,18H2,1H3;3-6,8H,7,9H2,1-2H3.
What are the key properties of 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine?
4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine has a molecular weight of 1508.21 g/mol, XLogP of 16.35, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-[(4-methoxyphenyl)methyl]-6-methyl-7H-pyrimido[4,5-d]pyrimidin-5-one;8-[(4-methoxyphenyl)methyl]-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7H-pyrimido[4,5-d]pyrimidin-5-one;6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one;1-(2-phenylquinolin-3-yl)ethanamine is sourced from PubChem (CID 158902962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).