2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one

C24H23N7O — CID 134427766

IUPAC2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC(Nc1nc(N)nc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C24H23N7O/c1-14(27-22-19-21(29-24(25)30-22)26-13-31(2)23(19)32)17-12-16-10-6-7-11-18(16)28-20(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H4,25,26,27,29,30)
InChIKeyUWSODZXDAGAHSR-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.90
Rot. Bonds4

About 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one

2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one (PubChem CID 134427766) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
PubChem CID134427766
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
SMILESCC(Nc1nc(N)nc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C24H23N7O/c1-14(27-22-19-21(29-24(25)30-22)26-13-31(2)23(19)32)17-12-16-10-6-7-11-18(16)28-20(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H4,25,26,27,29,30)
InChIKeyUWSODZXDAGAHSR-UHFFFAOYSA-N
XLogP3.90
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The IUPAC name of 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one (CID 134427766) is 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one is CC(Nc1nc(N)nc2c1C(=O)N(C)CN2)c1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
The InChIKey is UWSODZXDAGAHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-14(27-22-19-21(29-24(25)30-22)26-13-31(2)23(19)32)17-12-16-10-6-7-11-18(16)28-20(17)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H4,25,26,27,29,30).
What are the key properties of 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one?
2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one has a molecular weight of 425.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-[1-(2-phenylquinolin-3-yl)ethylamino]-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one is sourced from PubChem (CID 134427766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).