2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile

C9H10N4 — CID 107544982

IUPAC2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
SMILESC=CCN(C)c1nccc(C#N)n1
InChIInChI=1S/C9H10N4/c1-3-6-13(2)9-11-5-4-8(7-10)12-9/h3-5H,1,6H2,2H3
InChIKeyQYKPPUOQLXDWKZ-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.97
Rot. Bonds3

About 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile

2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile (PubChem CID 107544982) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
PubChem CID107544982
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
SMILESC=CCN(C)c1nccc(C#N)n1
InChIInChI=1S/C9H10N4/c1-3-6-13(2)9-11-5-4-8(7-10)12-9/h3-5H,1,6H2,2H3
InChIKeyQYKPPUOQLXDWKZ-UHFFFAOYSA-N
XLogP0.97
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.97
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-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
2-[bis(cyanomethyl)amino]pyrimidine-4-carbonitrile
CID 107543413
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
6-[bis(prop-2-enyl)amino]pyridine-2-carbonitrile
CID 64593518
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile (CID 107544982) is 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile is C=CCN(C)c1nccc(C#N)n1.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile?
The InChIKey is QYKPPUOQLXDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-3-6-13(2)9-11-5-4-8(7-10)12-9/h3-5H,1,6H2,2H3.
What are the key properties of 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile?
2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).