5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

C14H24N4 — CID 80783931

IUPAC5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1CCCC(C)C1
InChIInChI=1S/C14H24N4/c1-4-12-13(15-3)16-9-17-14(12)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLOCACCWJLUIVSU-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds4

About 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80783931) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80783931
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1CCCC(C)C1
InChIInChI=1S/C14H24N4/c1-4-12-13(15-3)16-9-17-14(12)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLOCACCWJLUIVSU-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330
5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065368
4-N-(1,1-dioxothian-4-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80790126
N-(3,5-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80915420
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80783931) is 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC1CCCC(C)C1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is LOCACCWJLUIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-12-13(15-3)16-9-17-14(12)18-11-7-5-6-10(2)8-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).