6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C23H26N4O2 — CID 112853304

IUPAC6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-29-16-8-14-24-21-17-20(26-22(27-21)19-11-6-3-7-12-19)23(28)25-15-13-18-9-4-2-5-10-18/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyBRUNLYPCBSKSOB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.56
Rot. Bonds10

About 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 112853304) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID112853304
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-29-16-8-14-24-21-17-20(26-22(27-21)19-11-6-3-7-12-19)23(28)25-15-13-18-9-4-2-5-10-18/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyBRUNLYPCBSKSOB-UHFFFAOYSA-N
XLogP3.56
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.56
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-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112853309
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 112853304) is 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is COCCCNc1cc(C(=O)NCCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is BRUNLYPCBSKSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-16-8-14-24-21-17-20(26-22(27-21)19-11-6-3-7-12-19)23(28)25-15-13-18-9-4-2-5-10-18/h2-7,9-12,17H,8,13-16H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112853304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).