(5-chloropyrimidin-2-yl)methanamine

C5H6ClN3 — CID 11018991

IUPAC(5-chloropyrimidin-2-yl)methanamine
SMILESNCc1ncc(Cl)cn1
InChIInChI=1S/C5H6ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2
InChIKeyHLLBMNORHOVEHX-UHFFFAOYSA-N
MW143.58 g/mol
LogP0.59
Rot. Bonds1

About (5-chloropyrimidin-2-yl)methanamine

(5-chloropyrimidin-2-yl)methanamine (PubChem CID 11018991) has the molecular formula C5H6ClN3 and a molecular weight of 143.58 g/mol. Its IUPAC name is (5-chloropyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(5-chloropyrimidin-2-yl)methanamine
PubChem CID11018991
Molecular FormulaC5H6ClN3
Molecular Weight143.58 g/mol
Exact Mass143.03
IUPAC Name(5-chloropyrimidin-2-yl)methanamine
SMILESNCc1ncc(Cl)cn1
InChIInChI=1S/C5H6ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2
InChIKeyHLLBMNORHOVEHX-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.58
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-2-yl)methanamine?
The IUPAC name of (5-chloropyrimidin-2-yl)methanamine (CID 11018991) is (5-chloropyrimidin-2-yl)methanamine.
What is the SMILES notation for (5-chloropyrimidin-2-yl)methanamine?
The canonical SMILES for (5-chloropyrimidin-2-yl)methanamine is NCc1ncc(Cl)cn1.
What is the InChIKey of (5-chloropyrimidin-2-yl)methanamine?
The InChIKey is HLLBMNORHOVEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2.
What are the key properties of (5-chloropyrimidin-2-yl)methanamine?
(5-chloropyrimidin-2-yl)methanamine has a molecular weight of 143.58 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-2-yl)methanamine is sourced from PubChem (CID 11018991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).