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

C17H24N4 — CID 112875919

IUPAC4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(C)c2C)cc(NC(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-11-8-7-9-14(12(11)2)20-15-10-16(19-13(3)18-15)21-17(4,5)6/h7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyYHIGQJJSDGVDCB-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.36
Rot. Bonds3

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

4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112875919) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112875919
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2cccc(C)c2C)cc(NC(C)(C)C)n1
InChIInChI=1S/C17H24N4/c1-11-8-7-9-14(12(11)2)20-15-10-16(19-13(3)18-15)21-17(4,5)6/h7-10H,1-6H3,(H2,18,19,20,21)
InChIKeyYHIGQJJSDGVDCB-UHFFFAOYSA-N
XLogP4.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dimethylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761966
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868124
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112876148
4-N-tert-butyl-6-N-(2-methylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112881613
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428
4-N-(2,3-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112873954
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875926
4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
6-N-(3-bromo-4-methylphenyl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875945

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112875919) is 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2cccc(C)c2C)cc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is YHIGQJJSDGVDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-11-8-7-9-14(12(11)2)20-15-10-16(19-13(3)18-15)21-17(4,5)6/h7-10H,1-6H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.36, 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-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112875919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).