1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one

C11H17N3O — CID 82507354

IUPAC1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one
SMILESNCC1(n2cccnc2=O)CCCCC1
InChIInChI=1S/C11H17N3O/c12-9-11(5-2-1-3-6-11)14-8-4-7-13-10(14)15/h4,7-8H,1-3,5-6,9,12H2
InChIKeyWRTYWWOXQIJTHL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.86
Rot. Bonds2

About 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one

1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one (PubChem CID 82507354) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one
PubChem CID82507354
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one
SMILESNCC1(n2cccnc2=O)CCCCC1
InChIInChI=1S/C11H17N3O/c12-9-11(5-2-1-3-6-11)14-8-4-7-13-10(14)15/h4,7-8H,1-3,5-6,9,12H2
InChIKeyWRTYWWOXQIJTHL-UHFFFAOYSA-N
XLogP0.86
TPSA60.91 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one (CID 82507354) is 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one is NCC1(n2cccnc2=O)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one?
The InChIKey is WRTYWWOXQIJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-9-11(5-2-1-3-6-11)14-8-4-7-13-10(14)15/h4,7-8H,1-3,5-6,9,12H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one?
1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]pyrimidin-2-one is sourced from PubChem (CID 82507354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).