2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile

C15H17N5 — CID 107552824

IUPAC2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(Cc1cccc(N)c1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H17N5/c1-3-20(10-12-5-4-6-13(17)8-12)15-18-11(2)7-14(9-16)19-15/h4-8H,3,10,17H2,1-2H3
InChIKeyYQKKEOQIFSYFOX-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.27
Rot. Bonds4

About 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile

2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552824) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552824
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(Cc1cccc(N)c1)c1nc(C)cc(C#N)n1
InChIInChI=1S/C15H17N5/c1-3-20(10-12-5-4-6-13(17)8-12)15-18-11(2)7-14(9-16)19-15/h4-8H,3,10,17H2,1-2H3
InChIKeyYQKKEOQIFSYFOX-UHFFFAOYSA-N
XLogP2.27
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-aminophenyl)methyl-ethylamino]-2-methylbenzonitrile
CID 81278698
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
2-[(3-aminophenyl)methyl-ethylamino]-4-methoxybenzonitrile
CID 81300526
2-[(3-aminophenyl)methyl-ethylamino]-4-chlorobenzonitrile
CID 63083830
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
5-[(3-aminophenyl)methyl-propylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63756312
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile (CID 107552824) is 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile is CCN(Cc1cccc(N)c1)c1nc(C)cc(C#N)n1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is YQKKEOQIFSYFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-20(10-12-5-4-6-13(17)8-12)15-18-11(2)7-14(9-16)19-15/h4-8H,3,10,17H2,1-2H3.
What are the key properties of 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile?
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).