1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C20H26N6O — CID 110243569

IUPAC1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCCN(c4nc(C)cc(C)n4)C3)ncc2C1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)23-20(22-13)26-7-4-5-16(11-26)19-21-10-17-12-25(15(3)27)8-6-18(17)24-19/h9-10,16H,4-8,11-12H2,1-3H3
InChIKeyRBWGQPPKIRQEGS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.17
Rot. Bonds2

About 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 110243569) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID110243569
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCC(=O)N1CCc2nc(C3CCCN(c4nc(C)cc(C)n4)C3)ncc2C1
InChIInChI=1S/C20H26N6O/c1-13-9-14(2)23-20(22-13)26-7-4-5-16(11-26)19-21-10-17-12-25(15(3)27)8-6-18(17)24-19/h9-10,16H,4-8,11-12H2,1-3H3
InChIKeyRBWGQPPKIRQEGS-UHFFFAOYSA-N
XLogP2.17
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[6-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549077
1-[(3S)-3-[6-[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 124800505
1-[2-[(3R)-1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92559324
1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 95850645
1-[2-[(3R)-1-[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 124801685
1-[2-[(3S)-1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549752
1-[2-[(3S)-1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92589353
1-[(3R)-3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 92584211
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 92579001
(2R)-1-[2-[(3S)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562650
(2R)-1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-piperidin-1-ylpropan-1-one
CID 92551325
1-[2-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92581213

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 110243569) is 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CC(=O)N1CCc2nc(C3CCCN(c4nc(C)cc(C)n4)C3)ncc2C1.
What is the InChIKey of 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is RBWGQPPKIRQEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-13-9-14(2)23-20(22-13)26-7-4-5-16(11-26)19-21-10-17-12-25(15(3)27)8-6-18(17)24-19/h9-10,16H,4-8,11-12H2,1-3H3.
What are the key properties of 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 366.47 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 110243569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).