2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

C17H20N6O2 — CID 135434900

IUPAC2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc(NCCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H20N6O2/c18-11-14-15(13-3-1-4-19-12-13)21-17(22-16(14)24)20-5-2-6-23-7-9-25-10-8-23/h1,3-4,12H,2,5-10H2,(H2,20,21,22,24)
InChIKeyZRWGSQVZSLVUJW-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.84
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile

2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 135434900) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
PubChem CID135434900
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2cccnc2)nc(NCCCN2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H20N6O2/c18-11-14-15(13-3-1-4-19-12-13)21-17(22-16(14)24)20-5-2-6-23-7-9-25-10-8-23/h1,3-4,12H,2,5-10H2,(H2,20,21,22,24)
InChIKeyZRWGSQVZSLVUJW-UHFFFAOYSA-N
XLogP0.84
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462641
2-methylsulfanyl-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile
CID 136795080
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
2-(butylamino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135434903
4-amino-6-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 76506743
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494
1-(3-morpholin-4-ylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 127566290
4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 20997604
2-(3-morpholin-4-ylpropylamino)-5-phenylpyridine-3-carbonitrile
CID 21004425

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile (CID 135434900) is 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2cccnc2)nc(NCCCN2CCOCC2)[nH]c1=O.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is ZRWGSQVZSLVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-11-14-15(13-3-1-4-19-12-13)21-17(22-16(14)24)20-5-2-6-23-7-9-25-10-8-23/h1,3-4,12H,2,5-10H2,(H2,20,21,22,24).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile?
2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 340.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-6-oxo-4-pyridin-3-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135434900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).