N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109251815

IUPACN-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H24N4O3/c1-28-13-5-12-23-21(27)18-14-24-22(25-15-18)26-19-8-10-20(11-9-19)29-16-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNTZOWWZQPHZSFC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.57
Rot. Bonds10

About N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide

N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109251815) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109251815
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H24N4O3/c1-28-13-5-12-23-21(27)18-14-24-22(25-15-18)26-19-8-10-20(11-9-19)29-16-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyNTZOWWZQPHZSFC-UHFFFAOYSA-N
XLogP3.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599
N-butyl-2-(4-phenylmethoxyanilino)pyridine-4-carboxamide
CID 109165508
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251794
2-(3-chloro-4-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109262632
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide (CID 109251815) is N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is NTZOWWZQPHZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-13-5-12-23-21(27)18-14-24-22(25-15-18)26-19-8-10-20(11-9-19)29-16-17-6-3-2-4-7-17/h2-4,6-11,14-15H,5,12-13,16H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).