N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

C18H23ClN4O3 — CID 109324016

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O3/c1-11-8-14(16(26-4)10-13(11)19)22-17(24)15-9-12(2)21-18(23-15)20-6-5-7-25-3/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyFEACDBVKTKPVNN-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.46
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324016) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109324016
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1
InChIInChI=1S/C18H23ClN4O3/c1-11-8-14(16(26-4)10-13(11)19)22-17(24)15-9-12(2)21-18(23-15)20-6-5-7-25-3/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23)
InChIKeyFEACDBVKTKPVNN-UHFFFAOYSA-N
XLogP3.46
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.46
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

2-(butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320598
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-pentylpyrimidine-4-carboxamide
CID 109333515
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332314
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide (CID 109324016) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is COCCCNc1nc(C)cc(C(=O)Nc2cc(C)c(Cl)cc2OC)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FEACDBVKTKPVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-11-8-14(16(26-4)10-13(11)19)22-17(24)15-9-12(2)21-18(23-15)20-6-5-7-25-3/h8-10H,5-7H2,1-4H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).