5-chloro-N,4-dimethylpyrimidin-2-amine

C6H8ClN3 — CID 90718950

IUPAC5-chloro-N,4-dimethylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(C)n1
InChIInChI=1S/C6H8ClN3/c1-4-5(7)3-9-6(8-2)10-4/h3H,1-2H3,(H,8,9,10)
InChIKeyIHJUXMCYDQDJKW-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.48
Rot. Bonds1

About 5-chloro-N,4-dimethylpyrimidin-2-amine

5-chloro-N,4-dimethylpyrimidin-2-amine (PubChem CID 90718950) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-chloro-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N,4-dimethylpyrimidin-2-amine
PubChem CID90718950
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name5-chloro-N,4-dimethylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(C)n1
InChIInChI=1S/C6H8ClN3/c1-4-5(7)3-9-6(8-2)10-4/h3H,1-2H3,(H,8,9,10)
InChIKeyIHJUXMCYDQDJKW-UHFFFAOYSA-N
XLogP1.48
TPSA37.81 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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N,4-dimethylpyrimidin-2-amine (CID 90718950) is 5-chloro-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N,4-dimethylpyrimidin-2-amine is CNc1ncc(Cl)c(C)n1.
What is the InChIKey of 5-chloro-N,4-dimethylpyrimidin-2-amine?
The InChIKey is IHJUXMCYDQDJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4-5(7)3-9-6(8-2)10-4/h3H,1-2H3,(H,8,9,10).
What are the key properties of 5-chloro-N,4-dimethylpyrimidin-2-amine?
5-chloro-N,4-dimethylpyrimidin-2-amine has a molecular weight of 157.60 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 90718950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).