N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide

C13H13N3O2 — CID 104629381

IUPACN-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cncnc1
InChIInChI=1S/C13H13N3O2/c1-16(8-10-2-4-12(17)5-3-10)13(18)11-6-14-9-15-7-11/h2-7,9,17H,8H2,1H3
InChIKeyKZAYITYKKQZBDU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.45
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide

N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide (PubChem CID 104629381) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
PubChem CID104629381
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cncnc1
InChIInChI=1S/C13H13N3O2/c1-16(8-10-2-4-12(17)5-3-10)13(18)11-6-14-9-15-7-11/h2-7,9,17H,8H2,1H3
InChIKeyKZAYITYKKQZBDU-UHFFFAOYSA-N
XLogP1.45
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 63865818
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
4-acetamido-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 123178559
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylfuran-3-carboxamide
CID 114821401
N-[(3-carbamothioylphenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 102921851
3-bromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47180891
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide (CID 104629381) is N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide is CN(Cc1ccc(O)cc1)C(=O)c1cncnc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is KZAYITYKKQZBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16(8-10-2-4-12(17)5-3-10)13(18)11-6-14-9-15-7-11/h2-7,9,17H,8H2,1H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide?
N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 104629381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).