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

C15H20N6O2 — CID 167973639

IUPAC6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
SMILESCO[C@@H]1C[C@H](CNc2ccc(=O)n(C)n2)N(c2ccncn2)C1
InChIInChI=1S/C15H20N6O2/c1-20-15(22)4-3-13(19-20)17-8-11-7-12(23-2)9-21(11)14-5-6-16-10-18-14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyVXSIIYPXPUJNDD-VXGBXAGGSA-N
MW316.37 g/mol
LogP0.28
Rot. Bonds5

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

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one (PubChem CID 167973639) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
PubChem CID167973639
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one
SMILESCO[C@@H]1C[C@H](CNc2ccc(=O)n(C)n2)N(c2ccncn2)C1
InChIInChI=1S/C15H20N6O2/c1-20-15(22)4-3-13(19-20)17-8-11-7-12(23-2)9-21(11)14-5-6-16-10-18-14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19)/t11-,12-/m1/s1
InChIKeyVXSIIYPXPUJNDD-VXGBXAGGSA-N
XLogP0.28
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-3-methylpyridine-2-carbonitrile
CID 154788987
[5-fluoro-2-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-4-pyridinyl]methanol
CID 154771906
3-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 167791434
5-tert-butyl-N-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 167989412
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
CID 124710405
1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-(3-methylbutan-2-yl)urea
CID 128987765
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
6-[(2S,4S)-2-[(dimethylamino)methyl]-4-methoxypyrrolidin-1-yl]-N-(3-imidazol-1-ylpropyl)pyrimidin-4-amine
CID 146115726
3-chloro-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylbenzamide
CID 146115669
8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 146115761
N-[(3aS,6aR)-5-methoxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-1-pyrimidin-4-ylazetidin-3-amine
CID 139021598
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one (CID 167973639) is 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one is CO[C@@H]1C[C@H](CNc2ccc(=O)n(C)n2)N(c2ccncn2)C1.
What is the InChIKey of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one?
The InChIKey is VXSIIYPXPUJNDD-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-15(22)4-3-13(19-20)17-8-11-7-12(23-2)9-21(11)14-5-6-16-10-18-14/h3-6,10-12H,7-9H2,1-2H3,(H,17,19)/t11-,12-/m1/s1.
What are the key properties of 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one?
6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one has a molecular weight of 316.37 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,4R)-4-methoxy-1-pyrimidin-4-ylpyrrolidin-2-yl]methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 167973639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).