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

C8H12ClN3 — CID 53385561

IUPAC2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)C)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)10-7-4-6(3)11-8(9)12-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyXRQXQUNEQBMZFM-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.26
Rot. Bonds2

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

2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 53385561) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID53385561
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)C)nc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-5(2)10-7-4-6(3)11-8(9)12-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyXRQXQUNEQBMZFM-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine (CID 53385561) is 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine is Cc1cc(NC(C)C)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is XRQXQUNEQBMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5(2)10-7-4-6(3)11-8(9)12-7/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine?
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-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 2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 53385561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).