N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide

C13H13N3O2 — CID 104627400

IUPACN-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cncnc1
InChIInChI=1S/C13H13N3O2/c17-6-5-10-1-3-12(4-2-10)16-13(18)11-7-14-9-15-8-11/h1-4,7-9,17H,5-6H2,(H,16,18)
InChIKeyLHONFJVJVLIEIO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.26
Rot. Bonds4

About N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide

N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide (PubChem CID 104627400) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
PubChem CID104627400
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cncnc1
InChIInChI=1S/C13H13N3O2/c17-6-5-10-1-3-12(4-2-10)16-13(18)11-7-14-9-15-8-11/h1-4,7-9,17H,5-6H2,(H,16,18)
InChIKeyLHONFJVJVLIEIO-UHFFFAOYSA-N
XLogP1.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
3-hydroxy-N-[4-(2-hydroxyethyl)phenyl]pyridine-4-carboxamide
CID 81443250
6-[[4-(2-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 61236807
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
6-(ethylamino)-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62181500
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide (CID 104627400) is N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cncnc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide?
The InChIKey is LHONFJVJVLIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-6-5-10-1-3-12(4-2-10)16-13(18)11-7-14-9-15-8-11/h1-4,7-9,17H,5-6H2,(H,16,18).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 104627400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).