5-butyl-6-chloro-2-methylpyrimidin-4-amine

C9H14ClN3 — CID 3025147

IUPAC5-butyl-6-chloro-2-methylpyrimidin-4-amine
SMILESCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C9H14ClN3/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyGKQYZHWWZGNONQ-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.36
Rot. Bonds3

About 5-butyl-6-chloro-2-methylpyrimidin-4-amine

5-butyl-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 3025147) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 5-butyl-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-butyl-6-chloro-2-methylpyrimidin-4-amine
PubChem CID3025147
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name5-butyl-6-chloro-2-methylpyrimidin-4-amine
SMILESCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C9H14ClN3/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyGKQYZHWWZGNONQ-UHFFFAOYSA-N
XLogP2.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of 5-butyl-6-chloro-2-methylpyrimidin-4-amine (CID 3025147) is 5-butyl-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-butyl-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-butyl-6-chloro-2-methylpyrimidin-4-amine is CCCCc1c(N)nc(C)nc1Cl.
What is the InChIKey of 5-butyl-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is GKQYZHWWZGNONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-4-5-7-8(10)12-6(2)13-9(7)11/h3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-butyl-6-chloro-2-methylpyrimidin-4-amine?
5-butyl-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 3025147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).