N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide

C15H17N3O2 — CID 126441503

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
SMILESCOC[C@H](C)NC(=O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H17N3O2/c1-11(9-20-2)18-15(19)13-5-3-12(4-6-13)14-7-16-10-17-8-14/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCOQIFFOHSZOWQB-NSHDSACASA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide

N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide (PubChem CID 126441503) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
PubChem CID126441503
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
SMILESCOC[C@H](C)NC(=O)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C15H17N3O2/c1-11(9-20-2)18-15(19)13-5-3-12(4-6-13)14-7-16-10-17-8-14/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCOQIFFOHSZOWQB-NSHDSACASA-N
XLogP1.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 154835530
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide (CID 126441503) is N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide is COC[C@H](C)NC(=O)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide?
The InChIKey is COQIFFOHSZOWQB-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(9-20-2)18-15(19)13-5-3-12(4-6-13)14-7-16-10-17-8-14/h3-8,10-11H,9H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide?
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 126441503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).