4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine

C8H12ClN3 — CID 53385565

IUPAC4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)10-8-11-6(3)4-7(9)12-8/h4-5H,1-3H3,(H,10,11,12)
InChIKeyQUEOPLZPFJUQNV-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.26
Rot. Bonds2

About 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine

4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 53385565) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID53385565
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)10-8-11-6(3)4-7(9)12-8/h4-5H,1-3H3,(H,10,11,12)
InChIKeyQUEOPLZPFJUQNV-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

4-chloro-6-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 130009210
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907386
2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
CID 174613758
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
2-chloro-6-methyl-4-propan-2-ylpyridine
CID 19867375
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
4-chloro-6-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 110190836
1-(2-chloro-6-methyl-4-pyridinyl)-2-methylpropan-1-amine
CID 55271130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine (CID 53385565) is 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine is Cc1cc(Cl)nc(NC(C)C)n1.
What is the InChIKey of 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is QUEOPLZPFJUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5(2)10-8-11-6(3)4-7(9)12-8/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine?
4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 53385565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).