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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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).