6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile

C15H16N6O2 — CID 163274093

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
SMILESCOc1ncc(-c2cc(N3CCCC3)c(C#N)nn2)c(OC)n1
InChIInChI=1S/C15H16N6O2/c1-22-14-10(9-17-15(18-14)23-2)11-7-13(12(8-16)20-19-11)21-5-3-4-6-21/h7,9H,3-6H2,1-2H3
InChIKeyVRXWMUYULWCWPI-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.42
Rot. Bonds4

About 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile

6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile (PubChem CID 163274093) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
PubChem CID163274093
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
SMILESCOc1ncc(-c2cc(N3CCCC3)c(C#N)nn2)c(OC)n1
InChIInChI=1S/C15H16N6O2/c1-22-14-10(9-17-15(18-14)23-2)11-7-13(12(8-16)20-19-11)21-5-3-4-6-21/h7,9H,3-6H2,1-2H3
InChIKeyVRXWMUYULWCWPI-UHFFFAOYSA-N
XLogP1.42
TPSA97.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 163274123
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
4-[[1-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrrol-3-yl]methyl]benzonitrile
CID 166934665
2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 167110237
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 149085949
4-[[3-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrazol-1-yl]methyl]benzonitrile
CID 166934693
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
CID 167110304
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 175692811
4-[(E)-2-[(1R,2S)-2-[3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-4-yl]cyclopropyl]ethenyl]benzonitrile
CID 166999481
4-(3-fluoropiperidin-1-yl)-6-(4-methoxy-2-pentan-3-yloxypyrimidin-5-yl)-3-pentan-3-ylpyridazine
CID 165128864
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile (CID 163274093) is 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile is COc1ncc(-c2cc(N3CCCC3)c(C#N)nn2)c(OC)n1.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile?
The InChIKey is VRXWMUYULWCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-22-14-10(9-17-15(18-14)23-2)11-7-13(12(8-16)20-19-11)21-5-3-4-6-21/h7,9H,3-6H2,1-2H3.
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile?
6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile is sourced from PubChem (CID 163274093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).