N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109259606

IUPACN-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-16-7-6-15(10-17(16)21)25-18(26)14-11-23-19(24-12-14)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,25,26)(H,22,23,24)
InChIKeyNUZFBSAOWYNPSA-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.69
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259606) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259606
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-16-7-6-15(10-17(16)21)25-18(26)14-11-23-19(24-12-14)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,25,26)(H,22,23,24)
InChIKeyNUZFBSAOWYNPSA-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109261477
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262736
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259606) is N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is NUZFBSAOWYNPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-16-7-6-15(10-17(16)21)25-18(26)14-11-23-19(24-12-14)22-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,25,26)(H,22,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).