2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine

C17H24N4 — CID 80980689

IUPAC2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2nc(C(C)(C)C)nc(N)c2C)c1C
InChIInChI=1S/C17H24N4/c1-10-8-7-9-13(11(10)2)19-15-12(3)14(18)20-16(21-15)17(4,5)6/h7-9H,1-6H3,(H3,18,19,20,21)
InChIKeySLQHRJWMMBJWDU-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.03
Rot. Bonds2

About 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80980689) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80980689
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1cccc(Nc2nc(C(C)(C)C)nc(N)c2C)c1C
InChIInChI=1S/C17H24N4/c1-10-8-7-9-13(11(10)2)19-15-12(3)14(18)20-16(21-15)17(4,5)6/h7-9H,1-6H3,(H3,18,19,20,21)
InChIKeySLQHRJWMMBJWDU-UHFFFAOYSA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-2-methylphenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80976178
2-tert-butyl-4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80976688
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 81256059
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
2-tert-butyl-5-methyl-4-N-(4-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 80976694
2-tert-butyl-4-N-[(3-chlorophenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80985280
5-methyl-4-N-(2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976348
2-tert-butyl-4-N-(furan-2-ylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80980729
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine (CID 80980689) is 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine is Cc1cccc(Nc2nc(C(C)(C)C)nc(N)c2C)c1C.
What is the InChIKey of 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is SLQHRJWMMBJWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-10-8-7-9-13(11(10)2)19-15-12(3)14(18)20-16(21-15)17(4,5)6/h7-9H,1-6H3,(H3,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2,3-dimethylphenyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).