2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

C14H12N6 — CID 115915164

IUPAC2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N6/c15-6-8-20(9-7-16)13-10-12(17)18-14(19-13)11-4-2-1-3-5-11/h1-5,10H,8-9H2,(H2,17,18,19)
InChIKeyFRVZUBPPGYVOPY-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.58
Rot. Bonds4

About 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (PubChem CID 115915164) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
PubChem CID115915164
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N6/c15-6-8-20(9-7-16)13-10-12(17)18-14(19-13)11-4-2-1-3-5-11/h1-5,10H,8-9H2,(H2,17,18,19)
InChIKeyFRVZUBPPGYVOPY-UHFFFAOYSA-N
XLogP1.58
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
CID 115915430
4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
CID 112667760
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80956167
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 106769899
4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915312
4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine
CID 115915302
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 115915296
2-(2-amino-6-phenyl-4-pyridinyl)acetonitrile
CID 131378395
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
2-(6-amino-4-phenyl-2-pyridinyl)acetonitrile
CID 131378393

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (CID 115915164) is 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is N#CCN(CC#N)c1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is FRVZUBPPGYVOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c15-6-8-20(9-7-16)13-10-12(17)18-14(19-13)11-4-2-1-3-5-11/h1-5,10H,8-9H2,(H2,17,18,19).
What are the key properties of 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 264.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 115915164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).