2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide

C15H16N4O — CID 109247741

IUPAC2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccccc2C)nc1
InChIInChI=1S/C15H16N4O/c1-3-8-16-14(20)12-9-17-15(18-10-12)19-13-7-5-4-6-11(13)2/h3-7,9-10H,1,8H2,2H3,(H,16,20)(H,17,18,19)
InChIKeyTWTAUHPPVKLLJV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide

2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 109247741) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID109247741
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(Nc2ccccc2C)nc1
InChIInChI=1S/C15H16N4O/c1-3-8-16-14(20)12-9-17-15(18-10-12)19-13-7-5-4-6-11(13)2/h3-7,9-10H,1,8H2,2H3,(H,16,20)(H,17,18,19)
InChIKeyTWTAUHPPVKLLJV-UHFFFAOYSA-N
XLogP2.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247769
2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
2-(2-methylanilino)-N-(4-piperidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109265440
2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide (CID 109247741) is 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(Nc2ccccc2C)nc1.
What is the InChIKey of 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is TWTAUHPPVKLLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-8-16-14(20)12-9-17-15(18-10-12)19-13-7-5-4-6-11(13)2/h3-7,9-10H,1,8H2,2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide?
2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 109247741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).