4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C22H30N6O — CID 92629168

IUPAC4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C22H30N6O/c1-14(2)20-23-11-16(12-24-20)13-28-9-7-17(8-10-28)21-25-15(3)18-5-6-19(29)27(4)22(18)26-21/h11-12,14,17H,5-10,13H2,1-4H3
InChIKeyUYPZCQNQJWQWNL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.99
Rot. Bonds4

About 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629168) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629168
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C
InChIInChI=1S/C22H30N6O/c1-14(2)20-23-11-16(12-24-20)13-28-9-7-17(8-10-28)21-25-15(3)18-5-6-19(29)27(4)22(18)26-21/h11-12,14,17H,5-10,13H2,1-4H3
InChIKeyUYPZCQNQJWQWNL-UHFFFAOYSA-N
XLogP2.99
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 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

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621455
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629351
4,8-dimethyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261162
4,8-dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 118741766
2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629195
3-[(3S)-3-[4-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propanamide
CID 92629189
4,8-dimethyl-2-[(3S)-1-(2-phenylacetyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618825
(1R,5S)-6-methyl-3-[(2-propan-2-ylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 77082006
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261025
2-[1-(4-fluorobenzoyl)piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268450
2-(3-methylphenyl)-4-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136766167

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629168) is 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C.
What is the InChIKey of 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UYPZCQNQJWQWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-14(2)20-23-11-16(12-24-20)13-28-9-7-17(8-10-28)21-25-15(3)18-5-6-19(29)27(4)22(18)26-21/h11-12,14,17H,5-10,13H2,1-4H3.
What are the key properties of 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 394.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).