N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

C22H25N5O — CID 109311005

IUPACN-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-27(2)19-12-10-18(11-13-19)25-21(28)20-14-16-24-22(26-20)23-15-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyHLUOLXCCNZNWRZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.84
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109311005) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109311005
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccnc(NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C22H25N5O/c1-27(2)19-12-10-18(11-13-19)25-21(28)20-14-16-24-22(26-20)23-15-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyHLUOLXCCNZNWRZ-UHFFFAOYSA-N
XLogP3.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109296454
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109316733
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308419

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109311005) is N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is CN(C)c1ccc(NC(=O)c2ccnc(NCCCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is HLUOLXCCNZNWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-27(2)19-12-10-18(11-13-19)25-21(28)20-14-16-24-22(26-20)23-15-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-14,16H,6,9,15H2,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).