2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide

C17H20N4O3 — CID 109320356

IUPAC2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H20N4O3/c1-5-8-18-16(22)14-9-11(2)19-17(21-14)20-13-10-12(23-3)6-7-15(13)24-4/h5-7,9-10H,1,8H2,2-4H3,(H,18,22)(H,19,20,21)
InChIKeyWGTQCUXZUPBVFM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.46
Rot. Bonds7

About 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide

2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109320356) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109320356
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(C)nc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C17H20N4O3/c1-5-8-18-16(22)14-9-11(2)19-17(21-14)20-13-10-12(23-3)6-7-15(13)24-4/h5-7,9-10H,1,8H2,2-4H3,(H,18,22)(H,19,20,21)
InChIKeyWGTQCUXZUPBVFM-UHFFFAOYSA-N
XLogP2.46
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320348
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109323462
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
2-(2,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320399
2-(3,4-dichloroanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320398
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332388
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320388
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907821

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 109320356) is 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(C)nc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is WGTQCUXZUPBVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-5-8-18-16(22)14-9-11(2)19-17(21-14)20-13-10-12(23-3)6-7-15(13)24-4/h5-7,9-10H,1,8H2,2-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109320356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).