5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one

C11H16ClN3O2 — CID 136859484

IUPAC5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1O
InChIInChI=1S/C11H16ClN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeySVMJDUVHXLEFKW-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds2

About 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136859484) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136859484
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Cl)C1CCCCC1O
InChIInChI=1S/C11H16ClN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17)
InChIKeySVMJDUVHXLEFKW-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one (CID 136859484) is 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Cl)C1CCCCC1O.
What is the InChIKey of 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is SVMJDUVHXLEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15(7-4-2-3-5-8(7)16)10-9(12)11(17)14-6-13-10/h6-8,16H,2-5H2,1H3,(H,13,14,17).
What are the key properties of 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 257.72 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136859484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).