2-[5-(methylamino)pyrimidin-2-yl]acetonitrile

C7H8N4 — CID 171833314

IUPAC2-[5-(methylamino)pyrimidin-2-yl]acetonitrile
SMILESCNc1cnc(CC#N)nc1
InChIInChI=1S/C7H8N4/c1-9-6-4-10-7(2-3-8)11-5-6/h4-5,9H,2H2,1H3
InChIKeyKWWSIFLTUUGEMM-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.58
Rot. Bonds2

About 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile

2-[5-(methylamino)pyrimidin-2-yl]acetonitrile (PubChem CID 171833314) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(methylamino)pyrimidin-2-yl]acetonitrile
PubChem CID171833314
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-[5-(methylamino)pyrimidin-2-yl]acetonitrile
SMILESCNc1cnc(CC#N)nc1
InChIInChI=1S/C7H8N4/c1-9-6-4-10-7(2-3-8)11-5-6/h4-5,9H,2H2,1H3
InChIKeyKWWSIFLTUUGEMM-UHFFFAOYSA-N
XLogP0.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-propan-2-ylpyrimidin-2-yl)acetonitrile
CID 166553342
2-(5-nitropyrimidin-2-yl)acetonitrile
CID 63204082
2-chloro-N-methylpyrimidin-5-amine;hydrochloride
CID 174657221
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[4,5-bis(trifluoromethyl)pyrimidin-2-yl]acetonitrile
CID 162523531
N-(2-cyanoethyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104639804
2-[1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetonitrile
CID 20533955
3-(5-methylpyrimidin-2-yl)propanenitrile
CID 170604964
2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
CID 84765349
2-[5-iodo-2-(methylamino)phenyl]acetonitrile
CID 174177507
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
CID 84763015

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile?
The IUPAC name of 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile (CID 171833314) is 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile is CNc1cnc(CC#N)nc1.
What is the InChIKey of 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile?
The InChIKey is KWWSIFLTUUGEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-9-6-4-10-7(2-3-8)11-5-6/h4-5,9H,2H2,1H3.
What are the key properties of 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile?
2-[5-(methylamino)pyrimidin-2-yl]acetonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)pyrimidin-2-yl]acetonitrile is sourced from PubChem (CID 171833314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).