N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide

C14H14Cl2N4O2 — CID 109342902

IUPACN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H14Cl2N4O2/c1-22-5-4-17-13-7-12(18-8-19-13)14(21)20-9-2-3-10(15)11(16)6-9/h2-3,6-8H,4-5H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYLVSZVTZJKQZMP-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.09
Rot. Bonds6

About N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide

N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide (PubChem CID 109342902) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
PubChem CID109342902
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC NameN-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H14Cl2N4O2/c1-22-5-4-17-13-7-12(18-8-19-13)14(21)20-9-2-3-10(15)11(16)6-9/h2-3,6-8H,4-5H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyYLVSZVTZJKQZMP-UHFFFAOYSA-N
XLogP3.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.09
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-(4-acetylphenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109342867
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343201
6-(2-methoxyethylamino)-N-(3-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 68558474
N-(3-chloro-4-methylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351455
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343241
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
methyl 2-[[6-(2-methoxyethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109342870
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275950
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
N-(3,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344173
N-(3-chloro-4-fluorophenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340312

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide (CID 109342902) is N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The InChIKey is YLVSZVTZJKQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-22-5-4-17-13-7-12(18-8-19-13)14(21)20-9-2-3-10(15)11(16)6-9/h2-3,6-8H,4-5H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide?
N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).