4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine

C12H21ClN4 — CID 82459489

IUPAC4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC(C)(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-7(2)6-8-15-10(13)9(14)11(16-8)17-12(3,4)5/h7H,6,14H2,1-5H3,(H,15,16,17)
InChIKeyORQYHPYOVGMLQY-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.12
Rot. Bonds3

About 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine

4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459489) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459489
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC(C)(C)C)n1
InChIInChI=1S/C12H21ClN4/c1-7(2)6-8-15-10(13)9(14)11(16-8)17-12(3,4)5/h7H,6,14H2,1-5H3,(H,15,16,17)
InChIKeyORQYHPYOVGMLQY-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine 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

6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459485
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
CID 82456109
6-chloro-2-(methoxymethyl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82459412
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 82459135
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456041
6-methoxy-4-N-(3-methoxypropyl)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458232

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459489) is 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is ORQYHPYOVGMLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-7(2)6-8-15-10(13)9(14)11(16-8)17-12(3,4)5/h7H,6,14H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 256.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).