(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C17H20N4O4 — CID 138020495

IUPAC(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)nc(C(=O)N2CCC(Oc3ccc(C)cn3)C2)n1
InChIInChI=1S/C17H20N4O4/c1-11-4-5-13(18-9-11)25-12-6-7-21(10-12)17(22)16-19-14(23-2)8-15(20-16)24-3/h4-5,8-9,12H,6-7,10H2,1-3H3
InChIKeyUSSUXDGHAVTUNX-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.49
Rot. Bonds5

About (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 138020495) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
PubChem CID138020495
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)nc(C(=O)N2CCC(Oc3ccc(C)cn3)C2)n1
InChIInChI=1S/C17H20N4O4/c1-11-4-5-13(18-9-11)25-12-6-7-21(10-12)17(22)16-19-14(23-2)8-15(20-16)24-3/h4-5,8-9,12H,6-7,10H2,1-3H3
InChIKeyUSSUXDGHAVTUNX-UHFFFAOYSA-N
XLogP1.49
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129418276
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
(3,5-difluoro-2-hydroxyphenyl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 146106621
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
3-chloro-1-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 110208360
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 138020495) is (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is COc1cc(OC)nc(C(=O)N2CCC(Oc3ccc(C)cn3)C2)n1.
What is the InChIKey of (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The InChIKey is USSUXDGHAVTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-4-5-13(18-9-11)25-12-6-7-21(10-12)17(22)16-19-14(23-2)8-15(20-16)24-3/h4-5,8-9,12H,6-7,10H2,1-3H3.
What are the key properties of (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 344.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138020495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).