6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one

C10H14ClN3O — CID 83852519

IUPAC6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one
SMILESNCCc1cc(Cl)nc(=O)n1C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-8(4-5-12)14(10(15)13-9)7-2-1-3-7/h6-7H,1-5,12H2
InChIKeyBLOLRECYBJZRFT-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.12
Rot. Bonds3

About 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one

6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one (PubChem CID 83852519) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one
PubChem CID83852519
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one
SMILESNCCc1cc(Cl)nc(=O)n1C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-9-6-8(4-5-12)14(10(15)13-9)7-2-1-3-7/h6-7H,1-5,12H2
InChIKeyBLOLRECYBJZRFT-UHFFFAOYSA-N
XLogP1.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
CID 83852712
2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
2-(1-cyclopentylindol-2-yl)ethanamine
CID 115115551
6-(aminomethyl)-4-chloro-1-ethylpyrimidin-2-one
CID 83851964
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
(6S)-11-chloro-2,8,10-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 118686136
7-chloro-1-cyclohexyl-4-methylquinazolin-2-one
CID 159258244
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
2-[3-cyclohexyl-2-(methoxymethyl)imidazol-4-yl]ethanamine
CID 83824513
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)propan-1-amine
CID 60785360
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one (CID 83852519) is 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one is NCCc1cc(Cl)nc(=O)n1C1CCC1.
What is the InChIKey of 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one?
The InChIKey is BLOLRECYBJZRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-6-8(4-5-12)14(10(15)13-9)7-2-1-3-7/h6-7H,1-5,12H2.
What are the key properties of 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one?
6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one has a molecular weight of 227.69 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one is sourced from PubChem (CID 83852519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).