2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C20H20N4O3 — CID 97444562

IUPAC2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc([C@H](O)CNC(=O)c2cnc(Nc3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-6-14(10-17)18(25)13-21-19(26)15-11-22-20(23-12-15)24-16-7-3-2-4-8-16/h2-12,18,25H,13H2,1H3,(H,21,26)(H,22,23,24)/t18-/m1/s1
InChIKeyRIRVSFYENGNMJP-GOSISDBHSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds7

About 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 97444562) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID97444562
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1cccc([C@H](O)CNC(=O)c2cnc(Nc3ccccc3)nc2)c1
InChIInChI=1S/C20H20N4O3/c1-27-17-9-5-6-14(10-17)18(25)13-21-19(26)15-11-22-20(23-12-15)24-16-7-3-2-4-8-16/h2-12,18,25H,13H2,1H3,(H,21,26)(H,22,23,24)/t18-/m1/s1
InChIKeyRIRVSFYENGNMJP-GOSISDBHSA-N
XLogP2.69
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-[(2S)-2-(3-methoxyphenyl)-3-phenylpropyl]benzamide
CID 11110747
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 97444562) is 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1cccc([C@H](O)CNC(=O)c2cnc(Nc3ccccc3)nc2)c1.
What is the InChIKey of 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is RIRVSFYENGNMJP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-9-5-6-14(10-17)18(25)13-21-19(26)15-11-22-20(23-12-15)24-16-7-3-2-4-8-16/h2-12,18,25H,13H2,1H3,(H,21,26)(H,22,23,24)/t18-/m1/s1.
What are the key properties of 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97444562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).