4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine

C14H24N4 — CID 79112273

IUPAC4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(c1cc(C)nc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4/c1-4-18(13-7-5-12(15)6-8-13)14-9-10(2)16-11(3)17-14/h9,12-13H,4-8,15H2,1-3H3
InChIKeyKELFDGXRPPGNFQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds3

About 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine

4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79112273) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79112273
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(c1cc(C)nc(C)n1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4/c1-4-18(13-7-5-12(15)6-8-13)14-9-10(2)16-11(3)17-14/h9,12-13H,4-8,15H2,1-3H3
InChIKeyKELFDGXRPPGNFQ-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine (CID 79112273) is 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine is CCN(c1cc(C)nc(C)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is KELFDGXRPPGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18(13-7-5-12(15)6-8-13)14-9-10(2)16-11(3)17-14/h9,12-13H,4-8,15H2,1-3H3.
What are the key properties of 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).