5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

C15H26N4 — CID 80835454

IUPAC5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N4/c1-3-13-14(16)18-10-19-15(13)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyNFPOUTOFPXASIL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds5

About 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine

5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80835454) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
PubChem CID80835454
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCC1CCCC(C)C1
InChIInChI=1S/C15H26N4/c1-3-13-14(16)18-10-19-15(13)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19)
InChIKeyNFPOUTOFPXASIL-UHFFFAOYSA-N
XLogP3.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-ethylpyrimidine-4,6-diamine
CID 80829852
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 66329019
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80934639
N-(2-cyclopropylethyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924360
4-N-[2-(3-methylcyclohexyl)ethyl]quinazoline-2,4-diamine
CID 80822726
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
6-chloro-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130965
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine (CID 80835454) is 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCC1CCCC(C)C1.
What is the InChIKey of 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is NFPOUTOFPXASIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-13-14(16)18-10-19-15(13)17-8-7-12-6-4-5-11(2)9-12/h10-12H,3-9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80835454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).