2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine

C17H30N4 — CID 80981493

IUPAC2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NC2CCCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-11-9-7-8-10-13(11)19-15-12(2)14(18-6)20-16(21-15)17(3,4)5/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeySWPISGUGPKWEIA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.11
Rot. Bonds3

About 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80981493) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80981493
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)(C)C)nc(NC2CCCCC2C)c1C
InChIInChI=1S/C17H30N4/c1-11-9-7-8-10-13(11)19-15-12(2)14(18-6)20-16(21-15)17(3,4)5/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeySWPISGUGPKWEIA-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
6-N,5-dimethyl-4-N-(2-methylcycloheptyl)-2-propylpyrimidine-4,6-diamine
CID 80992645
6-N,5-dimethyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985581
2-tert-butyl-4-N-(1-cyclopentylethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984630
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826319
2-tert-butyl-4-N-cyclopentyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80993102
2-tert-butyl-6-N,5-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80983616
6-N-ethyl-5-methyl-4-N-(2-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 80985469
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
2,5-dimethyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829505
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80981493) is 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine is CNc1nc(C(C)(C)C)nc(NC2CCCCC2C)c1C.
What is the InChIKey of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is SWPISGUGPKWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-11-9-7-8-10-13(11)19-15-12(2)14(18-6)20-16(21-15)17(3,4)5/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80981493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).