4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136695137

IUPAC4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-12-10(6-11(16)13-7)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZIKSZSTZYUTHBK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.79
Rot. Bonds2

About 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136695137) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136695137
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCC(O)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-12-10(6-11(16)13-7)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZIKSZSTZYUTHBK-UHFFFAOYSA-N
XLogP0.79
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136695137) is 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCC(O)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZIKSZSTZYUTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-12-10(6-11(16)13-7)14-8-2-4-9(15)5-3-8/h6,8-9,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136695137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).