N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide

C18H24N4O3 — CID 139976389

IUPACN-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide
SMILESCCCCCCN(C)C(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H24N4O3/c1-3-4-5-6-11-22(2)17(25)13-7-9-14(10-8-13)19-18-20-15(23)12-16(24)21-18/h7-10,12H,3-6,11H2,1-2H3,(H3,19,20,21,23,24)
InChIKeyMHIGPVUCUMRKEN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.87
Rot. Bonds8

About N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide

N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide (PubChem CID 139976389) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide
PubChem CID139976389
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide
SMILESCCCCCCN(C)C(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H24N4O3/c1-3-4-5-6-11-22(2)17(25)13-7-9-14(10-8-13)19-18-20-15(23)12-16(24)21-18/h7-10,12H,3-6,11H2,1-2H3,(H3,19,20,21,23,24)
InChIKeyMHIGPVUCUMRKEN-UHFFFAOYSA-N
XLogP2.87
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 136778835
3-fluoro-4-hydroxy-N-methyl-N-octylbenzamide
CID 175536796
propyl 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]benzoate
CID 135749149
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
1-N,4-N-bis[2-[ethyl(nonyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139952652
1-N,4-N-bis[2-[ethyl(heptyl)amino]ethyl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 139953556
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-hydroxy-2-[4-(trifluoromethoxy)anilino]-1H-pyrimidin-6-one
CID 139976239
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide?
The IUPAC name of N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide (CID 139976389) is N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide is CCCCCCN(C)C(=O)c1ccc(Nc2nc(O)cc(=O)[nH]2)cc1.
What is the InChIKey of N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide?
The InChIKey is MHIGPVUCUMRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-4-5-6-11-22(2)17(25)13-7-9-14(10-8-13)19-18-20-15(23)12-16(24)21-18/h7-10,12H,3-6,11H2,1-2H3,(H3,19,20,21,23,24).
What are the key properties of N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide?
N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide has a molecular weight of 344.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 139976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).