4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one

C11H17N3O — CID 82470454

IUPAC4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C2CCC(N)CC2)nc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h6,8-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyVNAQNSDZEJRDCH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.06
Rot. Bonds1

About 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one

4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 82470454) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID82470454
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C2CCC(N)CC2)nc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h6,8-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyVNAQNSDZEJRDCH-UHFFFAOYSA-N
XLogP1.06
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one (CID 82470454) is 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(C2CCC(N)CC2)nc(=O)[nH]1.
What is the InChIKey of 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is VNAQNSDZEJRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-6-10(14-11(15)13-7)8-2-4-9(12)5-3-8/h6,8-9H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one?
4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 82470454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).