4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 136973478

IUPAC4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-16-9-10(12-7-13-11(9)15)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyIECLPNDTYZMFIW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.52
Rot. Bonds3

About 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one

4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136973478) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136973478
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-16-9-10(12-7-13-11(9)15)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyIECLPNDTYZMFIW-UHFFFAOYSA-N
XLogP1.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136973478) is 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IECLPNDTYZMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-9-10(12-7-13-11(9)15)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136973478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).