N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide

C20H19N3O2 — CID 111471949

IUPACN-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H19N3O2/c24-18(15-7-3-1-4-8-15)11-12-21-20(25)17-13-22-19(23-14-17)16-9-5-2-6-10-16/h1-10,13-14,18,24H,11-12H2,(H,21,25)
InChIKeyLJIOITLLUZROAT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.00
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide

N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 111471949) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID111471949
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C20H19N3O2/c24-18(15-7-3-1-4-8-15)11-12-21-20(25)17-13-22-19(23-14-17)16-9-5-2-6-10-16/h1-10,13-14,18,24H,11-12H2,(H,21,25)
InChIKeyLJIOITLLUZROAT-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
2-chloro-N-(3-hydroxy-3-phenylpropyl)pyridine-4-carboxamide
CID 111472064
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 139007347
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 138674362
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide (CID 111471949) is N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide is O=C(NCCC(O)c1ccccc1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is LJIOITLLUZROAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-18(15-7-3-1-4-8-15)11-12-21-20(25)17-13-22-19(23-14-17)16-9-5-2-6-10-16/h1-10,13-14,18,24H,11-12H2,(H,21,25).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 111471949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).