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

C14H18N4O2 — CID 59258864

IUPAC2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1ccc(=O)n2C1CCC(O)CC1
InChIInChI=1S/C14H18N4O2/c1-8-11-6-7-12(20)18(13(11)17-14(15)16-8)9-2-4-10(19)5-3-9/h6-7,9-10,19H,2-5H2,1H3,(H2,15,16,17)
InChIKeyNYTXCVBPIWDGQJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds1

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

2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258864) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258864
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1ccc(=O)n2C1CCC(O)CC1
InChIInChI=1S/C14H18N4O2/c1-8-11-6-7-12(20)18(13(11)17-14(15)16-8)9-2-4-10(19)5-3-9/h6-7,9-10,19H,2-5H2,1H3,(H2,15,16,17)
InChIKeyNYTXCVBPIWDGQJ-UHFFFAOYSA-N
XLogP1.16
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258864) is 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1ccc(=O)n2C1CCC(O)CC1.
What is the InChIKey of 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NYTXCVBPIWDGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-11-6-7-12(20)18(13(11)17-14(15)16-8)9-2-4-10(19)5-3-9/h6-7,9-10,19H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 274.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).