[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H20N6O2 — CID 95108018

IUPAC[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1cc(O[C@H]2CCN(C(=O)c3ccnn3C)C2)ncn1
InChIInChI=1S/C15H20N6O2/c1-19(2)13-8-14(17-10-16-13)23-11-5-7-21(9-11)15(22)12-4-6-18-20(12)3/h4,6,8,10-11H,5,7,9H2,1-3H3/t11-/m0/s1
InChIKeyZZGDZSQPMYLYPT-NSHDSACASA-N
MW316.37 g/mol
LogP0.57
Rot. Bonds4

About [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 95108018) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID95108018
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1cc(O[C@H]2CCN(C(=O)c3ccnn3C)C2)ncn1
InChIInChI=1S/C15H20N6O2/c1-19(2)13-8-14(17-10-16-13)23-11-5-7-21(9-11)15(22)12-4-6-18-20(12)3/h4,6,8,10-11H,5,7,9H2,1-3H3/t11-/m0/s1
InChIKeyZZGDZSQPMYLYPT-NSHDSACASA-N
XLogP0.57
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53585906
N,N-Dimethyl-3-{[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}pyrazin-2-amine
CID 91914174
N~5~-[1-(3-Ethoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-YL]-N~5~,1-dimethyl-1H-pyrazole-5-carboxamide
CID 53185707
N-[1-(3-Ethoxypyrazin-2-YL)pyrrolidin-3-YL]-1-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 53185708
(3-{[6-(Dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53185838
(1-Methyl-1H-pyrazol-5-YL)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185862
4-{[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}-6-(pyrrolidin-1-YL)pyrimidine
CID 53185863
(1-ethyl-1H-pyrazol-3-yl)(3-{[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)methanone
CID 53185864
(1-Methyl-1H-pyrazol-5-YL)(3-{[3-(4-morpholinyl)-2-pyrazinyl]oxy}-1-pyrrolidinyl)methanone
CID 91914182
N-Methyl-3-{[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]oxy}-N-propylpyrazin-2-amine
CID 91914192
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 95108018) is [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CN(C)c1cc(O[C@H]2CCN(C(=O)c3ccnn3C)C2)ncn1.
What is the InChIKey of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZZGDZSQPMYLYPT-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19(2)13-8-14(17-10-16-13)23-11-5-7-21(9-11)15(22)12-4-6-18-20(12)3/h4,6,8,10-11H,5,7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95108018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).