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

C12H19N3O — CID 43428535

IUPAC1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one
SMILESCC1CCC(CN)C(n2cccnc2=O)C1
InChIInChI=1S/C12H19N3O/c1-9-3-4-10(8-13)11(7-9)15-6-2-5-14-12(15)16/h2,5-6,9-11H,3-4,7-8,13H2,1H3
InChIKeyBCQCLRDNFGAEMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds2

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

1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one (PubChem CID 43428535) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one
PubChem CID43428535
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one
SMILESCC1CCC(CN)C(n2cccnc2=O)C1
InChIInChI=1S/C12H19N3O/c1-9-3-4-10(8-13)11(7-9)15-6-2-5-14-12(15)16/h2,5-6,9-11H,3-4,7-8,13H2,1H3
InChIKeyBCQCLRDNFGAEMB-UHFFFAOYSA-N
XLogP1.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
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-methylcyclohexyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one (CID 43428535) is 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one is CC1CCC(CN)C(n2cccnc2=O)C1.
What is the InChIKey of 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one?
The InChIKey is BCQCLRDNFGAEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-4-10(8-13)11(7-9)15-6-2-5-14-12(15)16/h2,5-6,9-11H,3-4,7-8,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one?
1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one is sourced from PubChem (CID 43428535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).