2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine

C17H30N4 — CID 80981629

IUPAC2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
SMILESCCC1CCCC(Nc2nc(C(C)(C)C)nc(N)c2C)C1
InChIInChI=1S/C17H30N4/c1-6-12-8-7-9-13(10-12)19-15-11(2)14(18)20-16(21-15)17(3,4)5/h12-13H,6-10H2,1-5H3,(H3,18,19,20,21)
InChIKeyZIPFGMVJDKJAHM-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.05
Rot. Bonds3

About 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80981629) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80981629
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
SMILESCCC1CCCC(Nc2nc(C(C)(C)C)nc(N)c2C)C1
InChIInChI=1S/C17H30N4/c1-6-12-8-7-9-13(10-12)19-15-11(2)14(18)20-16(21-15)17(3,4)5/h12-13H,6-10H2,1-5H3,(H3,18,19,20,21)
InChIKeyZIPFGMVJDKJAHM-UHFFFAOYSA-N
XLogP4.05
TPSA63.83 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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-(cyclobutylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80994208
2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80987816
2-ethyl-N-(3-ethylcyclohexyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007268
3-[[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106137926
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,6-diamine
CID 114542031
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
5-methyl-4-N-(3-methylcyclohexyl)-2-propylpyrimidine-4,6-diamine
CID 80994131
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
CID 102758631
2-tert-butyl-5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80982416
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
4,6-dichloro-N-(3-ethylcyclohexyl)-1,3,5-triazin-2-amine
CID 64744122
2-tert-butyl-5-methyl-4-N-[(1-methylpiperidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80983916

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine (CID 80981629) is 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine is CCC1CCCC(Nc2nc(C(C)(C)C)nc(N)c2C)C1.
What is the InChIKey of 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is ZIPFGMVJDKJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-12-8-7-9-13(10-12)19-15-11(2)14(18)20-16(21-15)17(3,4)5/h12-13H,6-10H2,1-5H3,(H3,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 4.05, 3 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-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).