4-(cyclohexylamino)-1-methylpyrimidin-2-one

C11H17N3O — CID 580625

IUPAC4-(cyclohexylamino)-1-methylpyrimidin-2-one
SMILESCn1ccc(NC2CCCCC2)nc1=O
InChIInChI=1S/C11H17N3O/c1-14-8-7-10(13-11(14)15)12-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyNNHOLHJXOMESFQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds2

About 4-(cyclohexylamino)-1-methylpyrimidin-2-one

4-(cyclohexylamino)-1-methylpyrimidin-2-one (PubChem CID 580625) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-1-methylpyrimidin-2-one
PubChem CID580625
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(cyclohexylamino)-1-methylpyrimidin-2-one
SMILESCn1ccc(NC2CCCCC2)nc1=O
InChIInChI=1S/C11H17N3O/c1-14-8-7-10(13-11(14)15)12-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13,15)
InChIKeyNNHOLHJXOMESFQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(cyclohexylamino)-1-methylpyrimidin-2-one (CID 580625) is 4-(cyclohexylamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(cyclohexylamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(cyclohexylamino)-1-methylpyrimidin-2-one is Cn1ccc(NC2CCCCC2)nc1=O.
What is the InChIKey of 4-(cyclohexylamino)-1-methylpyrimidin-2-one?
The InChIKey is NNHOLHJXOMESFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-7-10(13-11(14)15)12-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,12,13,15).
What are the key properties of 4-(cyclohexylamino)-1-methylpyrimidin-2-one?
4-(cyclohexylamino)-1-methylpyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 580625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).