N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide

C15H17N3O2 — CID 125168230

IUPACN-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C15H17N3O2/c1-11(10-20-2)18-15(19)13-6-3-5-12(9-13)14-16-7-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyBRNHZGWIPWPIQS-NSHDSACASA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide

N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide (PubChem CID 125168230) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
PubChem CID125168230
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C15H17N3O2/c1-11(10-20-2)18-15(19)13-6-3-5-12(9-13)14-16-7-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyBRNHZGWIPWPIQS-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

N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
CID 171339155
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
CID 125444057
N-(1-methoxypropan-2-yl)-3-(tetrazol-1-yl)benzamide
CID 47005557
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3-(1H-imidazol-2-yl)-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 77081119
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide (CID 125168230) is N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide is COC[C@H](C)NC(=O)c1cccc(-c2ncccn2)c1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide?
The InChIKey is BRNHZGWIPWPIQS-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(10-20-2)18-15(19)13-6-3-5-12(9-13)14-16-7-4-8-17-14/h3-9,11H,10H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide?
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-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]-3-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 125168230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).