3-[(6-cyanopyrimidin-4-yl)amino]propanamide

C8H9N5O — CID 126973504

IUPAC3-[(6-cyanopyrimidin-4-yl)amino]propanamide
SMILESN#Cc1cc(NCCC(N)=O)ncn1
InChIInChI=1S/C8H9N5O/c9-4-6-3-8(13-5-12-6)11-2-1-7(10)14/h3,5H,1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyYMTWBGQPIRYIOL-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.36
Rot. Bonds4

About 3-[(6-cyanopyrimidin-4-yl)amino]propanamide

3-[(6-cyanopyrimidin-4-yl)amino]propanamide (PubChem CID 126973504) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-[(6-cyanopyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-cyanopyrimidin-4-yl)amino]propanamide
PubChem CID126973504
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name3-[(6-cyanopyrimidin-4-yl)amino]propanamide
SMILESN#Cc1cc(NCCC(N)=O)ncn1
InChIInChI=1S/C8H9N5O/c9-4-6-3-8(13-5-12-6)11-2-1-7(10)14/h3,5H,1-2H2,(H2,10,14)(H,11,12,13)
InChIKeyYMTWBGQPIRYIOL-UHFFFAOYSA-N
XLogP-0.36
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80786995
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-(2-cyclobutylethylamino)pyrimidine-4-carbonitrile
CID 115143093
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
6-[[(E)-4-aminobut-2-enyl]amino]pyrimidine-4-carbonitrile
CID 130551443
5-[(6-chloropyrimidin-4-yl)amino]pentanamide
CID 106239916
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
CID 167867833

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanopyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-cyanopyrimidin-4-yl)amino]propanamide (CID 126973504) is 3-[(6-cyanopyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-cyanopyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-cyanopyrimidin-4-yl)amino]propanamide is N#Cc1cc(NCCC(N)=O)ncn1.
What is the InChIKey of 3-[(6-cyanopyrimidin-4-yl)amino]propanamide?
The InChIKey is YMTWBGQPIRYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-4-6-3-8(13-5-12-6)11-2-1-7(10)14/h3,5H,1-2H2,(H2,10,14)(H,11,12,13).
What are the key properties of 3-[(6-cyanopyrimidin-4-yl)amino]propanamide?
3-[(6-cyanopyrimidin-4-yl)amino]propanamide has a molecular weight of 191.19 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanopyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 126973504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).