N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

C13H22ClN3 — CID 79267121

IUPACN-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(CCl)C(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-8(2)11(7-14)16-12-6-10(5)15-13(17-12)9(3)4/h6,8-9,11H,7H2,1-5H3,(H,15,16,17)
InChIKeyWJXPOMUZOYHPOP-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.58
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 79267121) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID79267121
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC(CCl)C(C)C)nc(C(C)C)n1
InChIInChI=1S/C13H22ClN3/c1-8(2)11(7-14)16-12-6-10(5)15-13(17-12)9(3)4/h6,8-9,11H,7H2,1-5H3,(H,15,16,17)
InChIKeyWJXPOMUZOYHPOP-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-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-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817
6-methyl-2-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 113461550
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
N-(3,3-dimethylbutyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113222606
2-methyl-1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 63962761
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
N',N'-dimethyl-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 43395227
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
2-N,2-N,2-trimethyl-1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,2-diamine
CID 54941206
6-methyl-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79362563

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 79267121) is N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NC(CCl)C(C)C)nc(C(C)C)n1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WJXPOMUZOYHPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-8(2)11(7-14)16-12-6-10(5)15-13(17-12)9(3)4/h6,8-9,11H,7H2,1-5H3,(H,15,16,17).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 255.79 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79267121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).