2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

C27H33N5O3 — CID 11225288

IUPAC2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)C(C)(C)C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C27H33N5O3/c1-27(2,3)25(35)30-20-13-9-12-19(16-20)22(33)14-15-28-24(34)21-17-29-26(32(4)5)31-23(21)18-10-7-6-8-11-18/h6-13,16-17,22,33H,14-15H2,1-5H3,(H,28,34)(H,30,35)
InChIKeyZWWUAKXKLVDARQ-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.05
Rot. Bonds8

About 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 11225288) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID11225288
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)C(C)(C)C)c2)c(-c2ccccc2)n1
InChIInChI=1S/C27H33N5O3/c1-27(2,3)25(35)30-20-13-9-12-19(16-20)22(33)14-15-28-24(34)21-17-29-26(32(4)5)31-23(21)18-10-7-6-8-11-18/h6-13,16-17,22,33H,14-15H2,1-5H3,(H,28,34)(H,30,35)
InChIKeyZWWUAKXKLVDARQ-UHFFFAOYSA-N
XLogP4.05
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
CID 11338343
2-(dimethylamino)-4-phenylpyrimidine-5-carboxylic acid;N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]benzamide
CID 172861685
2-[benzyl(methyl)amino]-N-[3-(4-cyanophenyl)-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
CID 67013211
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
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913631
[3-hydroxy-3-[3-(2-propylpentanoylamino)phenyl]propyl]carbamic acid
CID 67296701
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (CID 11225288) is 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NCCC(O)c2cccc(NC(=O)C(C)(C)C)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is ZWWUAKXKLVDARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-27(2,3)25(35)30-20-13-9-12-19(16-20)22(33)14-15-28-24(34)21-17-29-26(32(4)5)31-23(21)18-10-7-6-8-11-18/h6-13,16-17,22,33H,14-15H2,1-5H3,(H,28,34)(H,30,35).
What are the key properties of 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[3-(2,2-dimethylpropanoylamino)phenyl]-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 11225288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).