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

C23H30N6O3 — CID 25032305

IUPAC2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(OCCO)CC1
InChIInChI=1S/C23H30N6O3/c1-14-18-12-19(15-4-9-20(25-13-15)28(2)3)22(31)29(21(18)27-23(24)26-14)16-5-7-17(8-6-16)32-11-10-30/h4,9,12-13,16-17,30H,5-8,10-11H2,1-3H3,(H2,24,26,27)
InChIKeyKMYHNHSRXMFXAJ-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.30
Rot. Bonds6

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

2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 25032305) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID25032305
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(OCCO)CC1
InChIInChI=1S/C23H30N6O3/c1-14-18-12-19(15-4-9-20(25-13-15)28(2)3)22(31)29(21(18)27-23(24)26-14)16-5-7-17(8-6-16)32-11-10-30/h4,9,12-13,16-17,30H,5-8,10-11H2,1-3H3,(H2,24,26,27)
InChIKeyKMYHNHSRXMFXAJ-UHFFFAOYSA-N
XLogP2.30
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 25032305) is 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2C1CCC(OCCO)CC1.
What is the InChIKey of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KMYHNHSRXMFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-14-18-12-19(15-4-9-20(25-13-15)28(2)3)22(31)29(21(18)27-23(24)26-14)16-5-7-17(8-6-16)32-11-10-30/h4,9,12-13,16-17,30H,5-8,10-11H2,1-3H3,(H2,24,26,27).
What are the key properties of 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 438.53 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-(dimethylamino)-3-pyridinyl]-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25032305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).