8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol

C16H24N4O — CID 137384082

IUPAC8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(C1CCCCC1)C(O)C=C2
InChIInChI=1S/C16H24N4O/c1-3-17-16-18-11(2)13-9-10-14(21)20(15(13)19-16)12-7-5-4-6-8-12/h9-10,12,14,21H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyQRNGJHLFHKOHRL-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.70
Rot. Bonds3

About 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol

8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 137384082) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID137384082
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCCNc1nc(C)c2c(n1)N(C1CCCCC1)C(O)C=C2
InChIInChI=1S/C16H24N4O/c1-3-17-16-18-11(2)13-9-10-14(21)20(15(13)19-16)12-7-5-4-6-8-12/h9-10,12,14,21H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyQRNGJHLFHKOHRL-UHFFFAOYSA-N
XLogP2.70
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 137384082) is 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is CCNc1nc(C)c2c(n1)N(C1CCCCC1)C(O)C=C2.
What is the InChIKey of 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is QRNGJHLFHKOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-17-16-18-11(2)13-9-10-14(21)20(15(13)19-16)12-7-5-4-6-8-12/h9-10,12,14,21H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol?
8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 288.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-(ethylamino)-4-methyl-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 137384082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).