4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

C17H20N6O — CID 137247995

IUPAC4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)c(C#N)cn1
InChIInChI=1S/C17H20N6O/c1-11-6-15(13(8-18)9-19-11)23-5-4-12(10-23)14-7-16(24)21-17(20-14)22(2)3/h6-7,9,12H,4-5,10H2,1-3H3,(H,20,21,24)
InChIKeyZWPYSBFTQFHZAA-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.40
Rot. Bonds3

About 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 137247995) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID137247995
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)c(C#N)cn1
InChIInChI=1S/C17H20N6O/c1-11-6-15(13(8-18)9-19-11)23-5-4-12(10-23)14-7-16(24)21-17(20-14)22(2)3/h6-7,9,12H,4-5,10H2,1-3H3,(H,20,21,24)
InChIKeyZWPYSBFTQFHZAA-UHFFFAOYSA-N
XLogP1.40
TPSA88.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 137203036
3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-1-carbonyl]-2-methylbenzonitrile
CID 137246918
1-[3-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethylpyrimidin-2-one
CID 136765923
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
4-(5-cyano-2-methyl-4-pyridinyl)piperazine-2-carboxamide
CID 136548844
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
2-(dimethylamino)-4-[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246954
4-[(3R)-3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]pyrrolidin-1-yl]benzonitrile
CID 137204393
2-(dimethylamino)-4-[1-(imidazo[1,5-a]pyridine-6-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246916
2-(dimethylamino)-4-[1-(5-propan-2-yl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246965
2-(dimethylamino)-4-[1-[2-(3-methylimidazol-4-yl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 154768315
4-[1-(3-chloropyridine-4-carbonyl)pyrrolidin-3-yl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137246948

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 137247995) is 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1cc(N2CCC(c3cc(=O)[nH]c(N(C)C)n3)C2)c(C#N)cn1.
What is the InChIKey of 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is ZWPYSBFTQFHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-6-15(13(8-18)9-19-11)23-5-4-12(10-23)14-7-16(24)21-17(20-14)22(2)3/h6-7,9,12H,4-5,10H2,1-3H3,(H,20,21,24).
What are the key properties of 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]pyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 137247995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).