N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C23H26N4O — CID 109262614

IUPACN-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C23H26N4O/c1-17(2)20-12-6-7-13-21(20)27-23-25-15-19(16-26-23)22(28)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMFPDYYIKJHBWJA-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.71
Rot. Bonds8

About N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109262614) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109262614
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccccc1Nc1ncc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C23H26N4O/c1-17(2)20-12-6-7-13-21(20)27-23-25-15-19(16-26-23)22(28)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMFPDYYIKJHBWJA-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
2-(3-chloro-4-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109262632
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109262614) is N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is CC(C)c1ccccc1Nc1ncc(C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is MFPDYYIKJHBWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)20-12-6-7-13-21(20)27-23-25-15-19(16-26-23)22(28)24-14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15-17H,8,11,14H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).