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

C21H26N6O2 — CID 25032716

IUPAC2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C21H26N6O2/c1-12-16-10-17(13-4-9-18(23-11-13)26(2)3)20(29)27(19(16)25-21(22)24-12)14-5-7-15(28)8-6-14/h4,9-11,14-15,28H,5-8H2,1-3H3,(H2,22,24,25)
InChIKeyOHMFGJKOMBKYNM-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.29
Rot. Bonds3

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

2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032716) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID25032716
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(O)CC1
InChIInChI=1S/C21H26N6O2/c1-12-16-10-17(13-4-9-18(23-11-13)26(2)3)20(29)27(19(16)25-21(22)24-12)14-5-7-15(28)8-6-14/h4,9-11,14-15,28H,5-8H2,1-3H3,(H2,22,24,25)
InChIKeyOHMFGJKOMBKYNM-UHFFFAOYSA-N
XLogP2.29
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 25032716) is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OHMFGJKOMBKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-12-16-10-17(13-4-9-18(23-11-13)26(2)3)20(29)27(19(16)25-21(22)24-12)14-5-7-15(28)8-6-14/h4,9-11,14-15,28H,5-8H2,1-3H3,(H2,22,24,25).
What are the key properties of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 394.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 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-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).