N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109262706

IUPACN-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C20H19ClN4O/c21-17-8-10-18(11-9-17)25-19(26)16-13-23-20(24-14-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24)
InChIKeyQKLFMPSSAAMRHC-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.43
Rot. Bonds7

About N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide

N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide (PubChem CID 109262706) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
PubChem CID109262706
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C20H19ClN4O/c21-17-8-10-18(11-9-17)25-19(26)16-13-23-20(24-14-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24)
InChIKeyQKLFMPSSAAMRHC-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.43
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-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262736
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160785
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-(3-chlorophenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160796

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide (CID 109262706) is N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(NCCCc2ccccc2)nc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is QKLFMPSSAAMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-8-10-18(11-9-17)25-19(26)16-13-23-20(24-14-16)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide?
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).