N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine

C18H31N3 — CID 65403198

IUPACN-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(c2nc(NCC)cc(C(C)C)n2)CC1
InChIInChI=1S/C18H31N3/c1-5-7-14-8-10-15(11-9-14)18-20-16(13(3)4)12-17(21-18)19-6-2/h12-15H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyHBOBUIMXKJAHKA-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.11
Rot. Bonds6

About N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine

N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine (PubChem CID 65403198) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine
PubChem CID65403198
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCC(c2nc(NCC)cc(C(C)C)n2)CC1
InChIInChI=1S/C18H31N3/c1-5-7-14-8-10-15(11-9-14)18-20-16(13(3)4)12-17(21-18)19-6-2/h12-15H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyHBOBUIMXKJAHKA-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 55045869
6-cyclopropyl-N-ethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402191
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65391131
4-chloro-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidine
CID 65425407
N-methyl-2-(4-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 55193471
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352
N,6-dimethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65401576
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine (CID 65403198) is N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine is CCCC1CCC(c2nc(NCC)cc(C(C)C)n2)CC1.
What is the InChIKey of N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
The InChIKey is HBOBUIMXKJAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-7-14-8-10-15(11-9-14)18-20-16(13(3)4)12-17(21-18)19-6-2/h12-15H,5-11H2,1-4H3,(H,19,20,21).
What are the key properties of N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine?
N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-propan-2-yl-2-(4-propylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 65403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).