N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine

C11H18ClN3 — CID 65028293

IUPACN-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCCC(C)(CCl)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H18ClN3/c1-5-11(4,7-12)15-10-13-8(2)6-9(3)14-10/h6H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyZHXFNSMDUKJIHZ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.91
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine

N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 65028293) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID65028293
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCCC(C)(CCl)Nc1nc(C)cc(C)n1
InChIInChI=1S/C11H18ClN3/c1-5-11(4,7-12)15-10-13-8(2)6-9(3)14-10/h6H,5,7H2,1-4H3,(H,13,14,15)
InChIKeyZHXFNSMDUKJIHZ-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.91
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-methylbutan-2-yl)-4,6-dimethylpyrimidin-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

Related Compounds

2-N-(4,6-dimethylpyrimidin-2-yl)-2-methylbutane-1,2-diamine
CID 64549694
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
CID 115774026
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
N-[3-(chloromethyl)pentan-3-yl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635636
N-(1-chloro-2-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028401
6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
4-N-(1-chloro-2-methylbutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 65028759
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
N-(1-chloro-3-methylpentan-3-yl)-5-methylpyrimidin-2-amine
CID 106167874
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine (CID 65028293) is N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine is CCC(C)(CCl)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is ZHXFNSMDUKJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-5-11(4,7-12)15-10-13-8(2)6-9(3)14-10/h6H,5,7H2,1-4H3,(H,13,14,15).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine?
N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 65028293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).