6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile

C17H20N6O — CID 154788987

IUPAC6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
SMILESCO[C@@H]1C[C@H](CNc2ccc(C)c(C#N)n2)N(c2ccncn2)C1
InChIInChI=1S/C17H20N6O/c1-12-3-4-16(22-15(12)8-18)20-9-13-7-14(24-2)10-23(13)17-5-6-19-11-21-17/h3-6,11,13-14H,7,9-10H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCVIGBHCQLWEBGV-ZIAGYGMSSA-N
MW324.39 g/mol
LogP1.76
Rot. Bonds5

About 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile (PubChem CID 154788987) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
PubChem CID154788987
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
SMILESCO[C@@H]1C[C@H](CNc2ccc(C)c(C#N)n2)N(c2ccncn2)C1
InChIInChI=1S/C17H20N6O/c1-12-3-4-16(22-15(12)8-18)20-9-13-7-14(24-2)10-23(13)17-5-6-19-11-21-17/h3-6,11,13-14H,7,9-10H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyCVIGBHCQLWEBGV-ZIAGYGMSSA-N
XLogP1.76
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
CID 167973639
[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
CID 154771906
5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 167989412
3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 167791434
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
CID 124710405
3-methyl-6-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylamino]pyridine-2-carbonitrile
CID 99858269
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128975814
8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 146115761
3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide
CID 146115669

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile (CID 154788987) is 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile is CO[C@@H]1C[C@H](CNc2ccc(C)c(C#N)n2)N(c2ccncn2)C1.
What is the InChIKey of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile?
The InChIKey is CVIGBHCQLWEBGV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-3-4-16(22-15(12)8-18)20-9-13-7-14(24-2)10-23(13)17-5-6-19-11-21-17/h3-6,11,13-14H,7,9-10H2,1-2H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile?
6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 154788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).