(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide

C15H18N4O2 — CID 95985264

IUPAC(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C15H18N4O2/c1-11(21-13-7-5-4-6-8-13)14(20)18-12-9-16-15(17-10-12)19(2)3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyXILIYJJXMGLKKW-NSHDSACASA-N
MW286.33 g/mol
LogP1.95
Rot. Bonds5

About (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide

(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide (PubChem CID 95985264) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
PubChem CID95985264
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)Nc1cnc(N(C)C)nc1
InChIInChI=1S/C15H18N4O2/c1-11(21-13-7-5-4-6-8-13)14(20)18-12-9-16-15(17-10-12)19(2)3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyXILIYJJXMGLKKW-NSHDSACASA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide
CID 121112602
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
N-methyl-2-phenoxypropanamide
CID 4626974
5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 878338
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide (CID 95985264) is (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N(C)C)nc1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide?
The InChIKey is XILIYJJXMGLKKW-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(21-13-7-5-4-6-8-13)14(20)18-12-9-16-15(17-10-12)19(2)3/h4-11H,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide?
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide has a molecular weight of 286.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-phenoxypropanamide is sourced from PubChem (CID 95985264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).