6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C15H17FN4O2 — CID 2826293

IUPAC6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(Cc1ccc(F)cc1)CN2
InChIInChI=1S/C15H17FN4O2/c1-18-13-12(14(21)19(2)15(18)22)8-20(9-17-13)7-10-3-5-11(16)6-4-10/h3-6,17H,7-9H2,1-2H3
InChIKeyPVMKFXMDGGVESK-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.61
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 2826293) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID2826293
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CN(Cc1ccc(F)cc1)CN2
InChIInChI=1S/C15H17FN4O2/c1-18-13-12(14(21)19(2)15(18)22)8-20(9-17-13)7-10-3-5-11(16)6-4-10/h3-6,17H,7-9H2,1-2H3
InChIKeyPVMKFXMDGGVESK-UHFFFAOYSA-N
XLogP0.61
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

Mavacamten
CID 117761397
6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
1-(2-phenylethyl)-6-propyl-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
CID 1511383
N-benzyl-3-hydroxy-2,4-dioxo-6-(propylamino)-1H-pyrimidine-5-carboxamide
CID 129906770
6-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906821
N-[(2,5-difluorophenyl)methyl]-6-(ethylamino)-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906822
6-(ethylamino)-N-[(3-fluoro-4-methyl-phenyl)methyl]-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906825
6-amino-N-benzyl-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906949
6-(ethylamino)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 129906984

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 2826293) is 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CN(Cc1ccc(F)cc1)CN2.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is PVMKFXMDGGVESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-18-13-12(14(21)19(2)15(18)22)8-20(9-17-13)7-10-3-5-11(16)6-4-10/h3-6,17H,7-9H2,1-2H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 304.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2826293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).