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

C11H18ClN3 — CID 3025148

IUPAC6-chloro-5-hexyl-2-methylpyrimidin-4-amine
SMILESCCCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDUZHGJDTZVOGAW-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.14
Rot. Bonds5

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

6-chloro-5-hexyl-2-methylpyrimidin-4-amine (PubChem CID 3025148) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-5-hexyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-hexyl-2-methylpyrimidin-4-amine
PubChem CID3025148
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-5-hexyl-2-methylpyrimidin-4-amine
SMILESCCCCCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15)
InChIKeyDUZHGJDTZVOGAW-UHFFFAOYSA-N
XLogP3.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-hexyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-hexyl-2-methylpyrimidin-4-amine (CID 3025148) is 6-chloro-5-hexyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-hexyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-hexyl-2-methylpyrimidin-4-amine is CCCCCCc1c(N)nc(C)nc1Cl.
What is the InChIKey of 6-chloro-5-hexyl-2-methylpyrimidin-4-amine?
The InChIKey is DUZHGJDTZVOGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-chloro-5-hexyl-2-methylpyrimidin-4-amine?
6-chloro-5-hexyl-2-methylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-hexyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 3025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).