4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C20H25FN6O — CID 69460760

IUPAC4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCCN2CCCCC2)nc2c1CNC(=O)N2
InChIInChI=1S/C20H25FN6O/c1-13-11-14(21)5-6-15(13)17-16-12-23-20(28)26-18(16)25-19(24-17)22-7-10-27-8-3-2-4-9-27/h5-6,11H,2-4,7-10,12H2,1H3,(H3,22,23,24,25,26,28)
InChIKeyWZIIRMSPMTXNKT-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.12
Rot. Bonds5

About 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 69460760) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID69460760
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCCN2CCCCC2)nc2c1CNC(=O)N2
InChIInChI=1S/C20H25FN6O/c1-13-11-14(21)5-6-15(13)17-16-12-23-20(28)26-18(16)25-19(24-17)22-7-10-27-8-3-2-4-9-27/h5-6,11H,2-4,7-10,12H2,1H3,(H3,22,23,24,25,26,28)
InChIKeyWZIIRMSPMTXNKT-UHFFFAOYSA-N
XLogP3.12
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-8-oxido-N-(2-piperidin-1-ylethyl)-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidin-8-ium-2-amine
CID 87843530
4-(4-fluoro-2-methylphenyl)-8-oxido-N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-8-ium-2-amine
CID 87841934
8-(2-chlorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 69362131
4-(4-fluoro-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-(2-methylphenyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 90832885
4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-[(1-methylpiperidin-4-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 69363246
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 69363982
4-(2,4-difluorophenyl)-2-(3-fluorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808305
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 21114446
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639582
4-[8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide;4-[8-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-3-methylbenzoic acid
CID 158040513
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 69460760) is 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCCN2CCCCC2)nc2c1CNC(=O)N2.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is WZIIRMSPMTXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-13-11-14(21)5-6-15(13)17-16-12-23-20(28)26-18(16)25-19(24-17)22-7-10-27-8-3-2-4-9-27/h5-6,11H,2-4,7-10,12H2,1H3,(H3,22,23,24,25,26,28).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 384.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-2-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 69460760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).