2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile

C8H10N4 — CID 116975578

IUPAC2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
SMILESCCc1cnc(NCC#N)nc1
InChIInChI=1S/C8H10N4/c1-2-7-5-11-8(12-6-7)10-4-3-9/h5-6H,2,4H2,1H3,(H,10,11,12)
InChIKeyUDHFQTRGOLBKKT-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.97
Rot. Bonds3

About 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile

2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile (PubChem CID 116975578) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
PubChem CID116975578
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
SMILESCCc1cnc(NCC#N)nc1
InChIInChI=1S/C8H10N4/c1-2-7-5-11-8(12-6-7)10-4-3-9/h5-6H,2,4H2,1H3,(H,10,11,12)
InChIKeyUDHFQTRGOLBKKT-UHFFFAOYSA-N
XLogP0.97
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975593
1-N-(5-ethylpyrimidin-2-yl)propane-1,2-diamine
CID 116974283
2-[[5-(4-butan-2-ylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975607
2-[[5-(2-methylphenyl)pyrimidin-2-yl]amino]acetonitrile
CID 116975653
1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
CID 116974540
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
CID 116975584
ethane;2-(ethylamino)pyrimidine-5-carbonitrile
CID 142425715
5-ethyl-2-methoxypyrimidine
CID 20754775
2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]amino]acetonitrile
CID 116975600
5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
3-[(1R)-2-[(5-ethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 97192755
2,5-diethylpyrimidine;hydroiodide
CID 143798194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile?
The IUPAC name of 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile (CID 116975578) is 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile is CCc1cnc(NCC#N)nc1.
What is the InChIKey of 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile?
The InChIKey is UDHFQTRGOLBKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-2-7-5-11-8(12-6-7)10-4-3-9/h5-6H,2,4H2,1H3,(H,10,11,12).
What are the key properties of 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile?
2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile is sourced from PubChem (CID 116975578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).