6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile

C19H16N6O3 — CID 163274114

IUPAC6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H16N6O3/c20-9-15-16(8-14(23-24-15)13-10-21-19(27)22-18(13)26)25-6-7-28-17(11-25)12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,11H2,(H2,21,22,26,27)
InChIKeyOKFLECPUDDTUKH-UHFFFAOYSA-N
MW376.38 g/mol
LogP0.97
Rot. Bonds3

About 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile

6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile (PubChem CID 163274114) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile
PubChem CID163274114
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile
SMILESN#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H16N6O3/c20-9-15-16(8-14(23-24-15)13-10-21-19(27)22-18(13)26)25-6-7-28-17(11-25)12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,11H2,(H2,21,22,26,27)
InChIKeyOKFLECPUDDTUKH-UHFFFAOYSA-N
XLogP0.97
TPSA127.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274145
4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-6-(2,4-dioxo-1H-pyrimidin-5-yl)pyridazine-3-carbonitrile
CID 163274209
fluorobenzene;5-(6-methyl-5-piperidin-1-ylpyridazin-3-yl)-1H-pyrimidine-2,4-dione
CID 163274221
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]pyridazine-3-carbonitrile
CID 169288688
2-(2-phenylmorpholin-4-yl)quinoline-3-carbonitrile
CID 52985652
5-[6-methyl-5-[(3R)-3-methylsulfonylpyrrolidin-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163274115
4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one
CID 95345237
7-ethyl-2-(2-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013710
4-acetyl-3-[2-(3-bromophenyl)morpholin-4-yl]benzonitrile
CID 133457155
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-4-cyanobenzenesulfonamide
CID 100675315
6-(5-methylthiophen-2-yl)-2-(2-phenylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 134714748
6-[(3S)-1-[6-(2,4-dioxo-1H-pyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]-4,4-difluoropyrrolidin-3-yl]oxypyridine-3-carbonitrile
CID 157034001

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile (CID 163274114) is 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile is N#Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CCOC(c2ccccc2)C1.
What is the InChIKey of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile?
The InChIKey is OKFLECPUDDTUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c20-9-15-16(8-14(23-24-15)13-10-21-19(27)22-18(13)26)25-6-7-28-17(11-25)12-4-2-1-3-5-12/h1-5,8,10,17H,6-7,11H2,(H2,21,22,26,27).
What are the key properties of 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile?
6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile has a molecular weight of 376.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(2-phenylmorpholin-4-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 163274114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).