4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586518

IUPAC4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h6,9-10H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyUZBUMHGKCBUCMN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds3

About 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one

4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586518) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID114586518
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2CN)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h6,9-10H,2-5,7,13H2,1H3,(H,14,15,16)
InChIKeyUZBUMHGKCBUCMN-UHFFFAOYSA-N
XLogP0.97
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one (CID 114586518) is 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC2CCCCC2CN)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UZBUMHGKCBUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-14-11(16)6-12(15-8)17-10-5-3-2-4-9(10)7-13/h6,9-10H,2-5,7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one?
4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)cyclohexyl]oxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).