4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine

C15H26N4O — CID 79112279

IUPAC4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCOc1ncnc(N(CC)C2CCC(N)CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-19(13-8-6-12(16)7-9-13)14-11(3)15(20-5-2)18-10-17-14/h10,12-13H,4-9,16H2,1-3H3
InChIKeyWKJCRKWRWBXEHT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds5

About 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine

4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79112279) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79112279
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCOc1ncnc(N(CC)C2CCC(N)CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-19(13-8-6-12(16)7-9-13)14-11(3)15(20-5-2)18-10-17-14/h10,12-13H,4-9,16H2,1-3H3
InChIKeyWKJCRKWRWBXEHT-UHFFFAOYSA-N
XLogP2.28
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine (CID 79112279) is 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine is CCOc1ncnc(N(CC)C2CCC(N)CC2)c1C.
What is the InChIKey of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is WKJCRKWRWBXEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(13-8-6-12(16)7-9-13)14-11(3)15(20-5-2)18-10-17-14/h10,12-13H,4-9,16H2,1-3H3.
What are the key properties of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine?
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).