N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

C22H24N4O — CID 109310966

IUPACN-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-21(27)20-14-16-24-22(26-20)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyIZHWDYKIPHYDFK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.34
Rot. Bonds8

About N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109310966) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109310966
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-21(27)20-14-16-24-22(26-20)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,25,27)(H,23,24,26)
InChIKeyIZHWDYKIPHYDFK-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.34
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-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
2-[2-(3-chlorophenyl)ethylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109313098
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
N-[4-(dimethylamino)phenyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109311005
N-(2-bromophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307837
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307786
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109310966) is N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(NCCCc2ccccc2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is IZHWDYKIPHYDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-21(27)20-14-16-24-22(26-20)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).