2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide

C19H24N4O5 — CID 20788830

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
SMILESCOC[C@H]1CCCN1NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H24N4O5/c1-25-12-13-7-6-10-23(13)22-18(24)14-8-4-5-9-15(14)28-19-20-16(26-2)11-17(21-19)27-3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyCOAWVNSBIDJJFS-CYBMUJFWSA-N
MW388.42 g/mol
LogP2.04
Rot. Bonds8

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide (PubChem CID 20788830) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
PubChem CID20788830
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide
SMILESCOC[C@H]1CCCN1NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H24N4O5/c1-25-12-13-7-6-10-23(13)22-18(24)14-8-4-5-9-15(14)28-19-20-16(26-2)11-17(21-19)27-3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyCOAWVNSBIDJJFS-CYBMUJFWSA-N
XLogP2.04
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 20850303
methyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]azetidine-2-carboxylate
CID 20788766
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 3475258
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
tert-butyl (2R)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]-2-methylpyrrolidin-1-ium-1-carboxylate
CID 57066751
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
CID 4152971

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide (CID 20788830) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide is COC[C@H]1CCCN1NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide?
The InChIKey is COAWVNSBIDJJFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-25-12-13-7-6-10-23(13)22-18(24)14-8-4-5-9-15(14)28-19-20-16(26-2)11-17(21-19)27-3/h4-5,8-9,11,13H,6-7,10,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 20788830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).