6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C15H15N5O2 — CID 109343097

IUPAC6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C15H15N5O2/c1-22-7-6-17-15(21)13-8-14(19-10-18-13)20-12-4-2-11(9-16)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyRNMIIDGKUTWDJE-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.47
Rot. Bonds6

About 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109343097) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109343097
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C15H15N5O2/c1-22-7-6-17-15(21)13-8-14(19-10-18-13)20-12-4-2-11(9-16)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyRNMIIDGKUTWDJE-UHFFFAOYSA-N
XLogP1.47
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.47
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

6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
CID 109338626
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
N-(3-methoxypropyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109343362
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
N-(4-cyanophenyl)-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343279
6-(4-tert-butylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343382
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109343097) is 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is RNMIIDGKUTWDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-22-7-6-17-15(21)13-8-14(19-10-18-13)20-12-4-2-11(9-16)3-5-12/h2-5,8,10H,6-7H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109343097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).