5-chloro-4-methyl-N-propylpyrimidin-2-amine

C8H12ClN3 — CID 91228818

IUPAC5-chloro-4-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(C)n1
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-11-5-7(9)6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyDOULRKZWJFVNAV-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.26
Rot. Bonds3

About 5-chloro-4-methyl-N-propylpyrimidin-2-amine

5-chloro-4-methyl-N-propylpyrimidin-2-amine (PubChem CID 91228818) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 5-chloro-4-methyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methyl-N-propylpyrimidin-2-amine
PubChem CID91228818
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name5-chloro-4-methyl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(C)n1
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-11-5-7(9)6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyDOULRKZWJFVNAV-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methyl-N-propylpyrimidin-2-amine (CID 91228818) is 5-chloro-4-methyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methyl-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(C)n1.
What is the InChIKey of 5-chloro-4-methyl-N-propylpyrimidin-2-amine?
The InChIKey is DOULRKZWJFVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-4-10-8-11-5-7(9)6(2)12-8/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-chloro-4-methyl-N-propylpyrimidin-2-amine?
5-chloro-4-methyl-N-propylpyrimidin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 91228818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).