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

C14H26N4 — CID 112924749

IUPAC2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-8-15-12-9-11(3)16-13(17-12)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyAAZSSRNLJQIVQP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.45
Rot. Bonds5

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

2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112924749) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112924749
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCC(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C14H26N4/c1-10(2)7-8-15-12-9-11(3)16-13(17-12)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18)
InChIKeyAAZSSRNLJQIVQP-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

4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
2-N-tert-butyl-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908535
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925161
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925222
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112920855
2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
6-methyl-4-N-(3-methylbutyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112925219

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112924749) is 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(NCCC(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is AAZSSRNLJQIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10(2)7-8-15-12-9-11(3)16-13(17-12)18-14(4,5)6/h9-10H,7-8H2,1-6H3,(H2,15,16,17,18).
What are the key properties of 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-tert-butyl-6-methyl-4-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 2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112924749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).