ethane;2-(ethylamino)pyrimidine-5-carbonitrile

C9H14N4 — CID 142425715

IUPACethane;2-(ethylamino)pyrimidine-5-carbonitrile
SMILESCC.CCNc1ncc(C#N)cn1
InChIInChI=1S/C7H8N4.C2H6/c1-2-9-7-10-4-6(3-8)5-11-7;1-2/h4-5H,2H2,1H3,(H,9,10,11);1-2H3
InChIKeyUGBUXFKFLWETQY-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.81
Rot. Bonds2

About ethane;2-(ethylamino)pyrimidine-5-carbonitrile

ethane;2-(ethylamino)pyrimidine-5-carbonitrile (PubChem CID 142425715) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is ethane;2-(ethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Nameethane;2-(ethylamino)pyrimidine-5-carbonitrile
PubChem CID142425715
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Nameethane;2-(ethylamino)pyrimidine-5-carbonitrile
SMILESCC.CCNc1ncc(C#N)cn1
InChIInChI=1S/C7H8N4.C2H6/c1-2-9-7-10-4-6(3-8)5-11-7;1-2/h4-5H,2H2,1H3,(H,9,10,11);1-2H3
InChIKeyUGBUXFKFLWETQY-UHFFFAOYSA-N
XLogP1.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(ethylamino)-5-iodopyrimidin-2-yl]amino]benzonitrile
CID 90052289
2-(ethylamino)pyrimidine-5-carbaldehyde
CID 11400865
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N,N-bis(cyanomethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62163524
2-[(5-ethylpyrimidin-2-yl)amino]acetonitrile
CID 116975578
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662559
7-amino-2-(ethylamino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 66490217
4-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 80738039
2-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 141441581
6-methylpyridine-3-carbonitrile;propane
CID 142590874
N-ethylpyrimido[5,4-d]pyrimidin-2-amine
CID 140978165
3-(ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215

Frequently Asked Questions

What is the IUPAC name of ethane;2-(ethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of ethane;2-(ethylamino)pyrimidine-5-carbonitrile (CID 142425715) is ethane;2-(ethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for ethane;2-(ethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for ethane;2-(ethylamino)pyrimidine-5-carbonitrile is CC.CCNc1ncc(C#N)cn1.
What is the InChIKey of ethane;2-(ethylamino)pyrimidine-5-carbonitrile?
The InChIKey is UGBUXFKFLWETQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4.C2H6/c1-2-9-7-10-4-6(3-8)5-11-7;1-2/h4-5H,2H2,1H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;2-(ethylamino)pyrimidine-5-carbonitrile?
ethane;2-(ethylamino)pyrimidine-5-carbonitrile has a molecular weight of 178.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 142425715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).