2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile

C11H14N4 — CID 107544983

IUPAC2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESC=CCN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H14N4/c1-4-6-15(5-2)11-13-9(3)7-10(8-12)14-11/h4,7H,1,5-6H2,2-3H3
InChIKeyFOPVAPNTEWYOJW-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.67
Rot. Bonds4

About 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile

2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544983) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544983
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESC=CCN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C11H14N4/c1-4-6-15(5-2)11-13-9(3)7-10(8-12)14-11/h4,7H,1,5-6H2,2-3H3
InChIKeyFOPVAPNTEWYOJW-UHFFFAOYSA-N
XLogP1.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-N,2-N-diethyl-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907755
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
CID 107544113

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544983) is 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile is C=CCN(CC)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is FOPVAPNTEWYOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-4-6-15(5-2)11-13-9(3)7-10(8-12)14-11/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).