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

C10H12N6 — CID 80933068

IUPAC2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCCc1nc(N)cc(N(CC#N)CC#N)n1
InChIInChI=1S/C10H12N6/c1-2-9-14-8(13)7-10(15-9)16(5-3-11)6-4-12/h7H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyJQTLSXIJIAQPMN-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.47
Rot. Bonds4

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

2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (PubChem CID 80933068) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
PubChem CID80933068
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCCc1nc(N)cc(N(CC#N)CC#N)n1
InChIInChI=1S/C10H12N6/c1-2-9-14-8(13)7-10(15-9)16(5-3-11)6-4-12/h7H,2,5-6H2,1H3,(H2,13,14,15)
InChIKeyJQTLSXIJIAQPMN-UHFFFAOYSA-N
XLogP0.47
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.47
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-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (CID 80933068) is 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is CCc1nc(N)cc(N(CC#N)CC#N)n1.
What is the InChIKey of 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is JQTLSXIJIAQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-2-9-14-8(13)7-10(15-9)16(5-3-11)6-4-12/h7H,2,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 216.25 g/mol, XLogP of 0.47, 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-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 80933068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).