3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide

C20H25N3O4 — CID 126448906

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
SMILESCOc1cc(OC)nc(-c2cccc(C(=O)NCCC[C@H]3CCOC3)c2)n1
InChIInChI=1S/C20H25N3O4/c1-25-17-12-18(26-2)23-19(22-17)15-6-3-7-16(11-15)20(24)21-9-4-5-14-8-10-27-13-14/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyAYCMVFHZDXMBGH-AWEZNQCLSA-N
MW371.44 g/mol
LogP2.71
Rot. Bonds8

About 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide

3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide (PubChem CID 126448906) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
PubChem CID126448906
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
SMILESCOc1cc(OC)nc(-c2cccc(C(=O)NCCC[C@H]3CCOC3)c2)n1
InChIInChI=1S/C20H25N3O4/c1-25-17-12-18(26-2)23-19(22-17)15-6-3-7-16(11-15)20(24)21-9-4-5-14-8-10-27-13-14/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyAYCMVFHZDXMBGH-AWEZNQCLSA-N
XLogP2.71
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
3-(2-ethyl-1,3-benzoxazol-5-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126452642
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-(1,5-dimethylindazol-3-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125444929
3-bromo-4-methoxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415100
6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
CID 90647648
4-(2-aminoethoxy)-3-methoxy-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126434522
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
3-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]benzamide
CID 119073766
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide (CID 126448906) is 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide is COc1cc(OC)nc(-c2cccc(C(=O)NCCC[C@H]3CCOC3)c2)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
The InChIKey is AYCMVFHZDXMBGH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-12-18(26-2)23-19(22-17)15-6-3-7-16(11-15)20(24)21-9-4-5-14-8-10-27-13-14/h3,6-7,11-12,14H,4-5,8-10,13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide?
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide is sourced from PubChem (CID 126448906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).