2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide

C16H19N3O5 — CID 20788759

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NC[C@H](C)O)n1
InChIInChI=1S/C16H19N3O5/c1-10(20)9-17-15(21)11-6-4-5-7-12(11)24-16-18-13(22-2)8-14(19-16)23-3/h4-8,10,20H,9H2,1-3H3,(H,17,21)/t10-/m0/s1
InChIKeyXDGPCNKQIWDRAC-JTQLQIEISA-N
MW333.34 g/mol
LogP1.40
Rot. Bonds7

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 20788759) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID20788759
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NC[C@H](C)O)n1
InChIInChI=1S/C16H19N3O5/c1-10(20)9-17-15(21)11-6-4-5-7-12(11)24-16-18-13(22-2)8-14(19-16)23-3/h4-8,10,20H,9H2,1-3H3,(H,17,21)/t10-/m0/s1
InChIKeyXDGPCNKQIWDRAC-JTQLQIEISA-N
XLogP1.40
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 20788818
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
methyl 2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-2-oxoethoxy]propanoate
CID 18953276
methyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pent-4-enoate
CID 20788800
tert-butyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-4-methylpentanoate
CID 20788796
prop-2-enyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]-3-methylpentanoate
CID 20788816
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
diethyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate
CID 3576006
N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 56969549
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide (CID 20788759) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide is COc1cc(OC)nc(Oc2ccccc2C(=O)NC[C@H](C)O)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is XDGPCNKQIWDRAC-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10(20)9-17-15(21)11-6-4-5-7-12(11)24-16-18-13(22-2)8-14(19-16)23-3/h4-8,10,20H,9H2,1-3H3,(H,17,21)/t10-/m0/s1.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 333.34 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 20788759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).