2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C22H28N6O2 — CID 59258839

IUPAC2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)c(-c3ccc(N(C)C)nc3)cc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C22H28N6O2/c1-13-17-11-18(14-5-10-19(24-12-14)27(2)3)21(29)28(20(17)26-22(23)25-13)15-6-8-16(30-4)9-7-15/h5,10-12,15-16H,6-9H2,1-4H3,(H2,23,25,26)
InChIKeyZNNPMVFPQYQPKR-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258839) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258839
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOC1CCC(n2c(=O)c(-c3ccc(N(C)C)nc3)cc3c(C)nc(N)nc32)CC1
InChIInChI=1S/C22H28N6O2/c1-13-17-11-18(14-5-10-19(24-12-14)27(2)3)21(29)28(20(17)26-22(23)25-13)15-6-8-16(30-4)9-7-15/h5,10-12,15-16H,6-9H2,1-4H3,(H2,23,25,26)
InChIKeyZNNPMVFPQYQPKR-UHFFFAOYSA-N
XLogP2.94
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258839) is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COC1CCC(n2c(=O)c(-c3ccc(N(C)C)nc3)cc3c(C)nc(N)nc32)CC1.
What is the InChIKey of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZNNPMVFPQYQPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13-17-11-18(14-5-10-19(24-12-14)27(2)3)21(29)28(20(17)26-22(23)25-13)15-6-8-16(30-4)9-7-15/h5,10-12,15-16H,6-9H2,1-4H3,(H2,23,25,26).
What are the key properties of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 408.51 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).