3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile

C10H12N4O — CID 136972973

IUPAC3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H12N4O/c11-4-1-5-14(8-2-3-8)9-6-10(15)13-7-12-9/h6-8H,1-3,5H2,(H,12,13,15)
InChIKeyWWVCPJNMYGQFQY-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.65
Rot. Bonds4

About 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile

3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile (PubChem CID 136972973) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
PubChem CID136972973
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
SMILESN#CCCN(c1cc(=O)[nH]cn1)C1CC1
InChIInChI=1S/C10H12N4O/c11-4-1-5-14(8-2-3-8)9-6-10(15)13-7-12-9/h6-8H,1-3,5H2,(H,12,13,15)
InChIKeyWWVCPJNMYGQFQY-UHFFFAOYSA-N
XLogP0.65
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972967
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
2-[2-cyanoethyl(cyclopropyl)amino]-5-fluoropyridine-3-carboxylic acid
CID 114034417
3-(4-amino-N-cyclopropyl-2,6-difluoroanilino)propanenitrile
CID 54996513
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80545373
4-[bis(2-aminoethyl)amino]-1H-pyrimidin-6-one
CID 137008121
4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958273
4-[2-cyanoethyl(cyclopropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244340
4-[ethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136504671
3-[cyclopropyl-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanenitrile
CID 80810314
4-[3-aminobutyl(methyl)amino]-1H-pyrimidin-6-one
CID 137008785

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile (CID 136972973) is 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile is N#CCCN(c1cc(=O)[nH]cn1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
The InChIKey is WWVCPJNMYGQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-4-1-5-14(8-2-3-8)9-6-10(15)13-7-12-9/h6-8H,1-3,5H2,(H,12,13,15).
What are the key properties of 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile?
3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile has a molecular weight of 204.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile is sourced from PubChem (CID 136972973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).