(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine

C9H12ClN3 — CID 83852073

IUPAC(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(C2CCC2)nc1Cl
InChIInChI=1S/C9H12ClN3/c10-8-7(4-11)5-12-9(13-8)6-2-1-3-6/h5-6H,1-4,11H2
InChIKeyDANDNORIJJIJNT-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.86
Rot. Bonds2

About (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine

(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine (PubChem CID 83852073) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine
PubChem CID83852073
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine
SMILESNCc1cnc(C2CCC2)nc1Cl
InChIInChI=1S/C9H12ClN3/c10-8-7(4-11)5-12-9(13-8)6-2-1-3-6/h5-6H,1-4,11H2
InChIKeyDANDNORIJJIJNT-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine?
The IUPAC name of (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine (CID 83852073) is (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine?
The canonical SMILES for (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine is NCc1cnc(C2CCC2)nc1Cl.
What is the InChIKey of (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine?
The InChIKey is DANDNORIJJIJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-8-7(4-11)5-12-9(13-8)6-2-1-3-6/h5-6H,1-4,11H2.
What are the key properties of (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine?
(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine has a molecular weight of 197.67 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 83852073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).