N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide

C16H20N4O2 — CID 161147787

IUPACN-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)Cc1cc(NC(=O)c2ccncn2)ccc1O
InChIInChI=1S/C16H20N4O2/c1-3-20(4-2)10-12-9-13(5-6-15(12)21)19-16(22)14-7-8-17-11-18-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22)
InChIKeyUOGYICMPRGZCMR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds6

About N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide

N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide (PubChem CID 161147787) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide
PubChem CID161147787
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)Cc1cc(NC(=O)c2ccncn2)ccc1O
InChIInChI=1S/C16H20N4O2/c1-3-20(4-2)10-12-9-13(5-6-15(12)21)19-16(22)14-7-8-17-11-18-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22)
InChIKeyUOGYICMPRGZCMR-UHFFFAOYSA-N
XLogP2.28
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
CID 140508292
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-propylpyrimidine-4-carboxamide
CID 89156251
N-(2-oxopropyl)pyrimidine-4-carboxamide
CID 89020208
4-[(3-chloro-2-hydroxypropyl)amino]-2-(diethylaminomethyl)phenol
CID 168639218
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
N-[3-chloro-4-(2,5-dihydroxypyrrol-1-yl)phenyl]pyrimidine-4-carboxamide
CID 137053556
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
N-[3-(diethylaminomethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 63050106
N-[3-[[(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]methyl]-4-methylphenyl]pyrimidine-4-carboxamide
CID 76901364

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide (CID 161147787) is N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide is CCN(CC)Cc1cc(NC(=O)c2ccncn2)ccc1O.
What is the InChIKey of N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide?
The InChIKey is UOGYICMPRGZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20(4-2)10-12-9-13(5-6-15(12)21)19-16(22)14-7-8-17-11-18-14/h5-9,11,21H,3-4,10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide?
N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 161147787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).