2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine

C15H28N4 — CID 80958767

IUPAC2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)CC(C)Nc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-10(2)8-11(3)17-13-9-12(16)18-14(19-13)15(4,5)6/h9-11H,7-8H2,1-6H3,(H3,16,17,18,19)
InChIKeyRSJLQWAQGFJMCB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.59
Rot. Bonds5

About 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80958767) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
PubChem CID80958767
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)CC(C)Nc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-7-10(2)8-11(3)17-13-9-12(16)18-14(19-13)15(4,5)6/h9-11H,7-8H2,1-6H3,(H3,16,17,18,19)
InChIKeyRSJLQWAQGFJMCB-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(4-methylhexan-2-yl)pyridine-2,6-diamine
CID 80647171
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-(2,2-difluoroethyl)pyrimidine-4,6-diamine
CID 115409403
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80960849
4-N-(4-methylhexan-2-yl)pyrimidine-2,4-diamine
CID 80846918
2-tert-butyl-4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 80962108
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922
2-tert-butyl-6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80959559
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine (CID 80958767) is 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine is CCC(C)CC(C)Nc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is RSJLQWAQGFJMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-7-10(2)8-11(3)17-13-9-12(16)18-14(19-13)15(4,5)6/h9-11H,7-8H2,1-6H3,(H3,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.59, 5 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-(4-methylhexan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80958767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).