2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile

C10H12N6 — CID 80754593

IUPAC2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCNc1cc(N(CC#N)CC#N)nc(C)n1
InChIInChI=1S/C10H12N6/c1-8-14-9(13-2)7-10(15-8)16(5-3-11)6-4-12/h7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyPUJSIPKIUZJJGD-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.68
Rot. Bonds4

About 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile

2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 80754593) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID80754593
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCNc1cc(N(CC#N)CC#N)nc(C)n1
InChIInChI=1S/C10H12N6/c1-8-14-9(13-2)7-10(15-8)16(5-3-11)6-4-12/h7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyPUJSIPKIUZJJGD-UHFFFAOYSA-N
XLogP0.68
TPSA88.63 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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyanomethyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetonitrile
CID 80946486
2-[cyanomethyl-[6-(methylamino)pyrazin-2-yl]amino]acetonitrile
CID 80754040
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80800000
4-N,6-N,2-trimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80846708
2-[cyanomethyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetonitrile
CID 80753887
6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80793867
N,N-dimethyl-2-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779138
4-N-(4-ethylphenyl)-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80816371
2-[cyanomethyl-[6-(ethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80753559

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile (CID 80754593) is 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile is CNc1cc(N(CC#N)CC#N)nc(C)n1.
What is the InChIKey of 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is PUJSIPKIUZJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-8-14-9(13-2)7-10(15-8)16(5-3-11)6-4-12/h7H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 216.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 80754593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).