4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

C14H26N4 — CID 112924628

IUPAC4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)(C)C)nc(NCCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-8-15-13-16-11(3)9-12(17-13)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyOZGZZKZFSBIUGF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.45
Rot. Bonds5

About 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112924628) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112924628
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)(C)C)nc(NCCC(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-8-15-13-16-11(3)9-12(17-13)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyOZGZZKZFSBIUGF-UHFFFAOYSA-N
XLogP3.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924749
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925276
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112920855
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925161
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112924628) is 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NC(C)(C)C)nc(NCCC(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is OZGZZKZFSBIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)7-8-15-13-16-11(3)9-12(17-13)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.45, 5 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-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).