4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

C14H24N4 — CID 79110713

IUPAC4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCCc1cc(NC2CCC(NC)CC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-4-11-9-14(17-10(2)16-11)18-13-7-5-12(15-3)6-8-13/h9,12-13,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySZIZRUAHJKIWTO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds4

About 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine

4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 79110713) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID79110713
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCCc1cc(NC2CCC(NC)CC2)nc(C)n1
InChIInChI=1S/C14H24N4/c1-4-11-9-14(17-10(2)16-11)18-13-7-5-12(15-3)6-8-13/h9,12-13,15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeySZIZRUAHJKIWTO-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine (CID 79110713) is 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is CCc1cc(NC2CCC(NC)CC2)nc(C)n1.
What is the InChIKey of 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is SZIZRUAHJKIWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11-9-14(17-10(2)16-11)18-13-7-5-12(15-3)6-8-13/h9,12-13,15H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).