N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine

C9H14ClN3 — CID 65037496

IUPACN-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC(C)CCl)ncn1
InChIInChI=1S/C9H14ClN3/c1-7(4-10)5-11-9-3-8(2)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyGPAZVTJFYPSPKC-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.07
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine

N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine (PubChem CID 65037496) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
PubChem CID65037496
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine
SMILESCc1cc(NCC(C)CCl)ncn1
InChIInChI=1S/C9H14ClN3/c1-7(4-10)5-11-9-3-8(2)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,13)
InChIKeyGPAZVTJFYPSPKC-UHFFFAOYSA-N
XLogP2.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine (CID 65037496) is N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine is Cc1cc(NCC(C)CCl)ncn1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine?
The InChIKey is GPAZVTJFYPSPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-7(4-10)5-11-9-3-8(2)12-6-13-9/h3,6-7H,4-5H2,1-2H3,(H,11,12,13).
What are the key properties of N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine?
N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 65037496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).