3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide

C19H23N3O2 — CID 125435137

IUPAC3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCCCc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(23)22-17-8-9-24-12-17/h4,6-7,10-11,17H,3,5,8-9,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyXCDNKGDGFCGMQK-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds5

About 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide

3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide (PubChem CID 125435137) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
PubChem CID125435137
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide
SMILESCCCc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(23)22-17-8-9-24-12-17/h4,6-7,10-11,17H,3,5,8-9,12H2,1-2H3,(H,22,23)/t17-/m0/s1
InChIKeyXCDNKGDGFCGMQK-KRWDZBQOSA-N
XLogP2.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125174867
3-(5-ethyl-1-methylpyrazol-4-yl)-N-[(3R)-oxolan-3-yl]benzamide
CID 125169993
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 125439283
[(3R)-3-hydroxypyrrolidin-1-yl]-[3-(2-methyl-6-propylpyrimidin-4-yl)phenyl]methanone
CID 122565117
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 137027875
2-(ethylamino)-6-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 113379136
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-[(3S)-oxolan-3-yl]benzamide
CID 125447195
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
3-(2-amino-4-propylpyrido[3,2-d]pyrimidin-6-yl)-N-cyclopropylbenzamide
CID 68915273
3-(4-cyano-2-methylphenyl)-N-(oxan-4-yl)benzamide
CID 118769181

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The IUPAC name of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide (CID 125435137) is 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide.
What is the SMILES notation for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The canonical SMILES for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide is CCCc1cc(-c2cccc(C(=O)N[C@H]3CCOC3)c2)nc(C)n1.
What is the InChIKey of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide?
The InChIKey is XCDNKGDGFCGMQK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-5-16-11-18(21-13(2)20-16)14-6-4-7-15(10-14)19(23)22-17-8-9-24-12-17/h4,6-7,10-11,17H,3,5,8-9,12H2,1-2H3,(H,22,23)/t17-/m0/s1.
What are the key properties of 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide?
3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3S)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125435137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).