N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide

C14H15ClN4O2 — CID 109299706

IUPACN-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-21-9-8-17-14-16-7-6-12(19-14)13(20)18-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyMTQRSTPQFYHJEQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.44
Rot. Bonds6

About N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide (PubChem CID 109299706) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
PubChem CID109299706
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)Nc2ccccc2Cl)n1
InChIInChI=1S/C14H15ClN4O2/c1-21-9-8-17-14-16-7-6-12(19-14)13(20)18-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3,(H,18,20)(H,16,17,19)
InChIKeyMTQRSTPQFYHJEQ-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.44
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-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
N-(3-chloro-2-methylphenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307803
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-(2-methoxyethylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109299699
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308845
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
2-(3-chloro-2-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299894
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide (CID 109299706) is N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide is COCCNc1nccc(C(=O)Nc2ccccc2Cl)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The InChIKey is MTQRSTPQFYHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-21-9-8-17-14-16-7-6-12(19-14)13(20)18-11-5-3-2-4-10(11)15/h2-7H,8-9H2,1H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).