(6-chloro-2-methylpyrimidin-4-yl)methanamine

C6H8ClN3 — CID 83480049

IUPAC(6-chloro-2-methylpyrimidin-4-yl)methanamine
SMILESCc1nc(Cl)cc(CN)n1
InChIInChI=1S/C6H8ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,3,8H2,1H3
InChIKeyHSVWIBMQDKXZHA-UHFFFAOYSA-N
MW157.60 g/mol
LogP0.90
Rot. Bonds1

About (6-chloro-2-methylpyrimidin-4-yl)methanamine

(6-chloro-2-methylpyrimidin-4-yl)methanamine (PubChem CID 83480049) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is (6-chloro-2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-2-methylpyrimidin-4-yl)methanamine
PubChem CID83480049
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name(6-chloro-2-methylpyrimidin-4-yl)methanamine
SMILESCc1nc(Cl)cc(CN)n1
InChIInChI=1S/C6H8ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,3,8H2,1H3
InChIKeyHSVWIBMQDKXZHA-UHFFFAOYSA-N
XLogP0.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (6-chloro-2-methylpyrimidin-4-yl)methanamine (CID 83480049) is (6-chloro-2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (6-chloro-2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (6-chloro-2-methylpyrimidin-4-yl)methanamine is Cc1nc(Cl)cc(CN)n1.
What is the InChIKey of (6-chloro-2-methylpyrimidin-4-yl)methanamine?
The InChIKey is HSVWIBMQDKXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4-9-5(3-8)2-6(7)10-4/h2H,3,8H2,1H3.
What are the key properties of (6-chloro-2-methylpyrimidin-4-yl)methanamine?
(6-chloro-2-methylpyrimidin-4-yl)methanamine has a molecular weight of 157.60 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 83480049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).