2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide

C22H24N4O3 — CID 11338343

IUPAC2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-26(2)22-24-14-18(20(25-22)15-7-4-3-5-8-15)21(29)23-12-11-19(28)16-9-6-10-17(27)13-16/h3-10,13-14,19,27-28H,11-12H2,1-2H3,(H,23,29)
InChIKeyAELIJKREORKBNG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.77
Rot. Bonds7

About 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide

2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 11338343) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID11338343
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-26(2)22-24-14-18(20(25-22)15-7-4-3-5-8-15)21(29)23-12-11-19(28)16-9-6-10-17(27)13-16/h3-10,13-14,19,27-28H,11-12H2,1-2H3,(H,23,29)
InChIKeyAELIJKREORKBNG-UHFFFAOYSA-N
XLogP2.77
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
CID 11225288
2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
CID 67013211
2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 72839360
2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid;N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]benzamide
CID 172861685
[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
2-[benzyl(methyl)amino]-4-(2-chlorophenyl)-N-[3-(3,4-dihydroxyphenyl)-3-hydroxypropyl]pyrimidine-5-carboxamide
CID 67014343
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
[4-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-5-yl] N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 68848185
3-[2-[(5,6-diphenylpyrazin-2-yl)-methylamino]-1-hydroxyethyl]phenol
CID 18452669
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913631

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide (CID 11338343) is 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NCCC(O)c2cccc(O)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is AELIJKREORKBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-26(2)22-24-14-18(20(25-22)15-7-4-3-5-8-15)21(29)23-12-11-19(28)16-9-6-10-17(27)13-16/h3-10,13-14,19,27-28H,11-12H2,1-2H3,(H,23,29).
What are the key properties of 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 11338343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).