2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C17H30N4 — CID 80984630

IUPAC2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NC(C)C2CCCC2)c1C
InChIInChI=1S/C17H30N4/c1-11-14(18-6)20-16(17(3,4)5)21-15(11)19-12(2)13-9-7-8-10-13/h12-13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyZCONMAUSLDIORM-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.11
Rot. Bonds4

About 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984630) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984630
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NC(C)C2CCCC2)c1C
InChIInChI=1S/C17H30N4/c1-11-14(18-6)20-16(17(3,4)5)21-15(11)19-12(2)13-9-7-8-10-13/h12-13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyZCONMAUSLDIORM-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-chloro-N-(1-cyclopentylethyl)-5-methylpyrimidin-4-amine
CID 80978132
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981493
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
2-[4-[[(1R)-1-cyclobutylethyl]amino]-5,6-dimethylpyrimidin-2-yl]propan-2-ol
CID 144678176
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985371
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-tert-butyl-4-N-[2-(dimethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982434
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80984630) is 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(NC(C)C2CCCC2)c1C.
What is the InChIKey of 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZCONMAUSLDIORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-11-14(18-6)20-16(17(3,4)5)21-15(11)19-12(2)13-9-7-8-10-13/h12-13H,7-10H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 290.46 g/mol, XLogP of 4.11, 4 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-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).