2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

C9H10N6 — CID 80753562

IUPAC2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCc1cnc(N)nc1N(CC#N)CC#N
InChIInChI=1S/C9H10N6/c1-7-6-13-9(12)14-8(7)15(4-2-10)5-3-11/h6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyIFCBIDHIINRFRF-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.22
Rot. Bonds3

About 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile

2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (PubChem CID 80753562) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
PubChem CID80753562
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
SMILESCc1cnc(N)nc1N(CC#N)CC#N
InChIInChI=1S/C9H10N6/c1-7-6-13-9(12)14-8(7)15(4-2-10)5-3-11/h6H,4-5H2,1H3,(H2,12,13,14)
InChIKeyIFCBIDHIINRFRF-UHFFFAOYSA-N
XLogP0.22
TPSA102.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.22
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-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile (CID 80753562) is 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is Cc1cnc(N)nc1N(CC#N)CC#N.
What is the InChIKey of 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is IFCBIDHIINRFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-7-6-13-9(12)14-8(7)15(4-2-10)5-3-11/h6H,4-5H2,1H3,(H2,12,13,14).
What are the key properties of 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile?
2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 202.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 80753562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).