2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine

C17H30N4 — CID 114542031

IUPAC2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NC2CCC(C)C2)c1C
InChIInChI=1S/C17H30N4/c1-7-18-14-12(3)15(19-13-9-8-11(2)10-13)21-16(20-14)17(4,5)6/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyZBEOKUDEYWHDHQ-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.11
Rot. Bonds4

About 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine

2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine (PubChem CID 114542031) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
PubChem CID114542031
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C(C)(C)C)nc(NC2CCC(C)C2)c1C
InChIInChI=1S/C17H30N4/c1-7-18-14-12(3)15(19-13-9-8-11(2)10-13)21-16(20-14)17(4,5)6/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21)
InChIKeyZBEOKUDEYWHDHQ-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

6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 114542059
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
2-tert-butyl-N-ethyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80986307
2-tert-butyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985371
2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
CID 80981629
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542317
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
5-methyl-4-N-(3-methylcyclohexyl)-2-propylpyrimidine-4,6-diamine
CID 80994131
6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-tert-butyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80987495
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine (CID 114542031) is 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine is CCNc1nc(C(C)(C)C)nc(NC2CCC(C)C2)c1C.
What is the InChIKey of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine?
The InChIKey is ZBEOKUDEYWHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-7-18-14-12(3)15(19-13-9-8-11(2)10-13)21-16(20-14)17(4,5)6/h11,13H,7-10H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine?
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-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-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114542031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).