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

C16H28N4O — CID 79117886

IUPAC4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ncnc(OCC)c1C)C1CCC(N)CC1
InChIInChI=1S/C16H28N4O/c1-4-10-20(14-8-6-13(17)7-9-14)15-12(3)16(21-5-2)19-11-18-15/h11,13-14H,4-10,17H2,1-3H3
InChIKeyFZJZROJQSGYQLW-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.67
Rot. Bonds6

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

4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79117886) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79117886
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ncnc(OCC)c1C)C1CCC(N)CC1
InChIInChI=1S/C16H28N4O/c1-4-10-20(14-8-6-13(17)7-9-14)15-12(3)16(21-5-2)19-11-18-15/h11,13-14H,4-10,17H2,1-3H3
InChIKeyFZJZROJQSGYQLW-UHFFFAOYSA-N
XLogP2.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.67
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-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine (CID 79117886) is 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1ncnc(OCC)c1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is FZJZROJQSGYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-10-20(14-8-6-13(17)7-9-14)15-12(3)16(21-5-2)19-11-18-15/h11,13-14H,4-10,17H2,1-3H3.
What are the key properties of 4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.67, 6 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-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79117886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).