N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109323895

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-13-12-16(23-18(22-13)21-9-3-11-25-2)17(24)20-10-8-14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBXXLVZBFMYWVGW-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.86
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323895) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323895
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-13-12-16(23-18(22-13)21-9-3-11-25-2)17(24)20-10-8-14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyBXXLVZBFMYWVGW-UHFFFAOYSA-N
XLogP2.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.86
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

N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503
2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327477
N-[2-(3-chlorophenyl)ethyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325463
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109331673

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (CID 109323895) is N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is COCCCNc1nc(C)cc(C(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BXXLVZBFMYWVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-13-12-16(23-18(22-13)21-9-3-11-25-2)17(24)20-10-8-14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).