4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile

C14H20N4 — CID 116646963

IUPAC4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
SMILESCCC1CCC(c2nc(C)c(C#N)c(N)n2)CC1
InChIInChI=1S/C14H20N4/c1-3-10-4-6-11(7-5-10)14-17-9(2)12(8-15)13(16)18-14/h10-11H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyLYPMXMNWGUMKCS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds2

About 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile

4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 116646963) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
PubChem CID116646963
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile
SMILESCCC1CCC(c2nc(C)c(C#N)c(N)n2)CC1
InChIInChI=1S/C14H20N4/c1-3-10-4-6-11(7-5-10)14-17-9(2)12(8-15)13(16)18-14/h10-11H,3-7H2,1-2H3,(H2,16,17,18)
InChIKeyLYPMXMNWGUMKCS-UHFFFAOYSA-N
XLogP2.92
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile (CID 116646963) is 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile is CCC1CCC(c2nc(C)c(C#N)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is LYPMXMNWGUMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-10-4-6-11(7-5-10)14-17-9(2)12(8-15)13(16)18-14/h10-11H,3-7H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile?
4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylcyclohexyl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116646963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).