2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

C16H30N4 — CID 80984473

IUPAC2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)(C)N(C)c1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4/c1-10-16(6,7)20(9)13-11(2)12(17-8)18-14(19-13)15(3,4)5/h10H2,1-9H3,(H,17,18,19)
InChIKeyGBBLNSHQHORVDW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.75
Rot. Bonds4

About 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine

2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80984473) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
PubChem CID80984473
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
SMILESCCC(C)(C)N(C)c1nc(C(C)(C)C)nc(NC)c1C
InChIInChI=1S/C16H30N4/c1-10-16(6,7)20(9)13-11(2)12(17-8)18-14(19-13)15(3,4)5/h10H2,1-9H3,(H,17,18,19)
InChIKeyGBBLNSHQHORVDW-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 80981578
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
6-hydrazinyl-N,5-dimethyl-N-(2-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 81007010
2-tert-butyl-4-N-[2-(diethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981478
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-tert-butyl-6-N-ethyl-4-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80986621

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine (CID 80984473) is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is CCC(C)(C)N(C)c1nc(C(C)(C)C)nc(NC)c1C.
What is the InChIKey of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is GBBLNSHQHORVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-10-16(6,7)20(9)13-11(2)12(17-8)18-14(19-13)15(3,4)5/h10H2,1-9H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80984473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).