N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

C15H16Cl2N4O2 — CID 109323658

IUPACN-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-9-8-12(20-15(19-9)18-6-7-23-2)14(22)21-13-10(16)4-3-5-11(13)17/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeySRTMIIOSCOOESN-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.40
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide

N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323658) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109323658
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC NameN-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O2/c1-9-8-12(20-15(19-9)18-6-7-23-2)14(22)21-13-10(16)4-3-5-11(13)17/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeySRTMIIOSCOOESN-UHFFFAOYSA-N
XLogP3.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.40
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-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323660
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109323629
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
N-(2,6-dichlorophenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324672
2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318967
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109324016
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide (CID 109323658) is N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)Nc2c(Cl)cccc2Cl)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SRTMIIOSCOOESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-9-8-12(20-15(19-9)18-6-7-23-2)14(22)21-13-10(16)4-3-5-11(13)17/h3-5,8H,6-7H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide?
N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).