[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine

C10H16ClN3 — CID 174471022

IUPAC[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)Cc1nc(Cl)ncc1CN
InChIInChI=1S/C10H16ClN3/c1-10(2,3)4-8-7(5-12)6-13-9(11)14-8/h6H,4-5,12H2,1-3H3
InChIKeyWAOBFSHQBVHODE-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.18
Rot. Bonds2

About [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine

[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine (PubChem CID 174471022) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine
PubChem CID174471022
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine
SMILESCC(C)(C)Cc1nc(Cl)ncc1CN
InChIInChI=1S/C10H16ClN3/c1-10(2,3)4-8-7(5-12)6-13-9(11)14-8/h6H,4-5,12H2,1-3H3
InChIKeyWAOBFSHQBVHODE-UHFFFAOYSA-N
XLogP2.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine 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 [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine (CID 174471022) is [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine is CC(C)(C)Cc1nc(Cl)ncc1CN.
What is the InChIKey of [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine?
The InChIKey is WAOBFSHQBVHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-10(2,3)4-8-7(5-12)6-13-9(11)14-8/h6H,4-5,12H2,1-3H3.
What are the key properties of [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine?
[2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine has a molecular weight of 213.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2,2-dimethylpropyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 174471022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).