N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109349158

IUPACN-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-9-18(10-12-19)15-24-22(27)20-14-21(26-16-25-20)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,16H,5,8,13,15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGNAGOSBFFYDTLT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.46
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109349158) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109349158
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-28-19-11-9-18(10-12-19)15-24-22(27)20-14-21(26-16-25-20)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,16H,5,8,13,15H2,1H3,(H,24,27)(H,23,25,26)
InChIKeyGNAGOSBFFYDTLT-UHFFFAOYSA-N
XLogP3.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109339838
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771
6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109344701
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
N-[(2-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348601
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109349158) is N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(NCCCc3ccccc3)ncn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is GNAGOSBFFYDTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-19-11-9-18(10-12-19)15-24-22(27)20-14-21(26-16-25-20)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,16H,5,8,13,15H2,1H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).