2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

C21H20N4O2 — CID 109361525

IUPAC2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1
InChIInChI=1S/C21H20N4O2/c1-3-13-22-21(26)18-14-20(24-15(2)23-18)25-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h3-12,14H,1,13H2,2H3,(H,22,26)(H,23,24,25)
InChIKeyWISDYUDIVSEFMY-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.24
Rot. Bonds7

About 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide

2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109361525) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109361525
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1
InChIInChI=1S/C21H20N4O2/c1-3-13-22-21(26)18-14-20(24-15(2)23-18)25-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h3-12,14H,1,13H2,2H3,(H,22,26)(H,23,24,25)
InChIKeyWISDYUDIVSEFMY-UHFFFAOYSA-N
XLogP4.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
6-(2-bromoanilino)-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361513
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
2-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296281
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-methyl-6-(3-methylbutylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 112846570
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109361525) is 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is WISDYUDIVSEFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-13-22-21(26)18-14-20(24-15(2)23-18)25-17-11-7-8-12-19(17)27-16-9-5-4-6-10-16/h3-12,14H,1,13H2,2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).