2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

C12H20ClN3 — CID 62344273

IUPAC2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-11(2,3)8-12(4,5)16-9-6-7-14-10(13)15-9/h6-7H,8H2,1-5H3,(H,14,15,16)
InChIKeyCINCKCZYHVFGTK-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.76
Rot. Bonds3

About 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine

2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (PubChem CID 62344273) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
PubChem CID62344273
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-11(2,3)8-12(4,5)16-9-6-7-14-10(13)15-9/h6-7H,8H2,1-5H3,(H,14,15,16)
InChIKeyCINCKCZYHVFGTK-UHFFFAOYSA-N
XLogP3.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-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

Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine
CID 23304103
N-but-2-ynyl-2-chloropyrimidin-4-amine
CID 103918065
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
1-[(2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 130162610
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-chloro-N-[(1-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761593
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
1-N-(2-chloropyrimidin-4-yl)propane-1,2-diamine;propane
CID 145372300
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine (CID 62344273) is 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is CC(C)(C)CC(C)(C)Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is CINCKCZYHVFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-11(2,3)8-12(4,5)16-9-6-7-14-10(13)15-9/h6-7H,8H2,1-5H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine?
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62344273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).