6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one

C13H21N3O — CID 83850783

IUPAC6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one
SMILESNCCCc1cc(C2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c14-8-4-7-11-9-12(16-13(17)15-11)10-5-2-1-3-6-10/h9-10H,1-8,14H2,(H,15,16,17)
InChIKeyPDJWAQDIPSESEM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds4

About 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one

6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one (PubChem CID 83850783) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one
PubChem CID83850783
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one
SMILESNCCCc1cc(C2CCCCC2)nc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c14-8-4-7-11-9-12(16-13(17)15-11)10-5-2-1-3-6-10/h9-10H,1-8,14H2,(H,15,16,17)
InChIKeyPDJWAQDIPSESEM-UHFFFAOYSA-N
XLogP1.71
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one
CID 83849691
3-(6-cyclobutyl-2-methylpyrimidin-4-yl)propan-1-amine
CID 83848275
4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one
CID 130056140
3-(4-cyclohexyl-1,3-oxazol-2-yl)propan-1-amine
CID 115026031
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
4-(1-aminoethyl)-6-cyclopentyl-1H-pyrimidin-2-one
CID 83848472
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
3-(4-cyclopropyl-6-propan-2-ylpyrimidin-2-yl)propan-1-amine
CID 63318793
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one (CID 83850783) is 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one is NCCCc1cc(C2CCCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one?
The InChIKey is PDJWAQDIPSESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-8-4-7-11-9-12(16-13(17)15-11)10-5-2-1-3-6-10/h9-10H,1-8,14H2,(H,15,16,17).
What are the key properties of 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one?
6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-cyclohexyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83850783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).