6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine

C10H17ClN4 — CID 103463549

IUPAC6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-4-10(2,3)6-13-8-5-7(11)14-9(12)15-8/h5H,4,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyUVQNBTYYGLUVFY-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.56
Rot. Bonds4

About 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine

6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine (PubChem CID 103463549) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
PubChem CID103463549
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4/c1-4-10(2,3)6-13-8-5-7(11)14-9(12)15-8/h5H,4,6H2,1-3H3,(H3,12,13,14,15)
InChIKeyUVQNBTYYGLUVFY-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-(2-methyl-2-methylsulfonylpropyl)pyrimidine-2,4-diamine
CID 71978665
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79880069
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
6-chloro-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80734968
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
CID 115658236
6-chloro-4-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrimidine-2,4-diamine
CID 130921223
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449
6-chloro-4-N-[(E)-pent-3-enyl]pyrimidine-2,4-diamine
CID 103669525
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
6-chloro-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 78952257
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine (CID 103463549) is 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine is CCC(C)(C)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine?
The InChIKey is UVQNBTYYGLUVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-4-10(2,3)6-13-8-5-7(11)14-9(12)15-8/h5H,4,6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103463549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).