N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

C18H24N4O3 — CID 109323874

IUPACN-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)NCc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O3/c1-13-11-15(22-18(21-13)19-9-6-10-24-2)17(23)20-12-14-7-4-5-8-16(14)25-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyMDXJNOXIPOCWTF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.17
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323874) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323874
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)NCc2ccccc2OC)n1
InChIInChI=1S/C18H24N4O3/c1-13-11-15(22-18(21-13)19-9-6-10-24-2)17(23)20-12-14-7-4-5-8-16(14)25-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,23)(H,19,21,22)
InChIKeyMDXJNOXIPOCWTF-UHFFFAOYSA-N
XLogP2.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330967
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925
2-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330964
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109323394
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (CID 109323874) is N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is COCCCNc1nc(C)cc(C(=O)NCc2ccccc2OC)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MDXJNOXIPOCWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-15(22-18(21-13)19-9-6-10-24-2)17(23)20-12-14-7-4-5-8-16(14)25-3/h4-5,7-8,11H,6,9-10,12H2,1-3H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).