1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one

C14H23N3O — CID 43329382

IUPAC1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one
SMILESCCCC1CCC(CN)C(n2cccnc2=O)C1
InChIInChI=1S/C14H23N3O/c1-2-4-11-5-6-12(10-15)13(9-11)17-8-3-7-16-14(17)18/h3,7-8,11-13H,2,4-6,9-10,15H2,1H3
InChIKeyLGRYJMCBMLMANK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one

1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one (PubChem CID 43329382) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one
PubChem CID43329382
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one
SMILESCCCC1CCC(CN)C(n2cccnc2=O)C1
InChIInChI=1S/C14H23N3O/c1-2-4-11-5-6-12(10-15)13(9-11)17-8-3-7-16-14(17)18/h3,7-8,11-13H,2,4-6,9-10,15H2,1H3
InChIKeyLGRYJMCBMLMANK-UHFFFAOYSA-N
XLogP1.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one (CID 43329382) is 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one is CCCC1CCC(CN)C(n2cccnc2=O)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one?
The InChIKey is LGRYJMCBMLMANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-4-11-5-6-12(10-15)13(9-11)17-8-3-7-16-14(17)18/h3,7-8,11-13H,2,4-6,9-10,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one?
1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one is sourced from PubChem (CID 43329382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).