N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine

C8H12ClN3 — CID 65027405

IUPACN-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine
SMILESCC(C)(CCl)Nc1ncccn1
InChIInChI=1S/C8H12ClN3/c1-8(2,6-9)12-7-10-4-3-5-11-7/h3-5H,6H2,1-2H3,(H,10,11,12)
InChIKeyDADNJAWQJKMDHC-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.91
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine

N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine (PubChem CID 65027405) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine
PubChem CID65027405
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine
SMILESCC(C)(CCl)Nc1ncccn1
InChIInChI=1S/C8H12ClN3/c1-8(2,6-9)12-7-10-4-3-5-11-7/h3-5H,6H2,1-2H3,(H,10,11,12)
InChIKeyDADNJAWQJKMDHC-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-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-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine (CID 65027405) is N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine is CC(C)(CCl)Nc1ncccn1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is DADNJAWQJKMDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-8(2,6-9)12-7-10-4-3-5-11-7/h3-5H,6H2,1-2H3,(H,10,11,12).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine?
N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 65027405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).