2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine

C17H24N4 — CID 80981578

IUPAC2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)c2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-12-14(18-5)19-16(17(2,3)4)20-15(12)21(6)13-10-8-7-9-11-13/h7-11H,1-6H3,(H,18,19,20)
InChIKeySFBLRIHXTYLKSW-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.89
Rot. Bonds3

About 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine

2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 80981578) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID80981578
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(N(C)c2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-12-14(18-5)19-16(17(2,3)4)20-15(12)21(6)13-10-8-7-9-11-13/h7-11H,1-6H3,(H,18,19,20)
InChIKeySFBLRIHXTYLKSW-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80984473
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
2-tert-butyl-4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80983794
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
3-[[2-tert-butyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80993315
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
1-N,4-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 57314003
2-tert-butyl-4-N-(furan-2-ylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980628

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine (CID 80981578) is 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(N(C)c2ccccc2)c1C.
What is the InChIKey of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is SFBLRIHXTYLKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-14(18-5)19-16(17(2,3)4)20-15(12)21(6)13-10-8-7-9-11-13/h7-11H,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine?
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.89, 3 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-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).