2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

C17H20N4O4 — CID 109248020

IUPAC2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C17H20N4O4/c1-5-6-18-17-19-9-11(10-20-17)16(22)21-12-7-13(23-2)15(25-4)14(8-12)24-3/h5,7-10H,1,6H2,2-4H3,(H,21,22)(H,18,19,20)
InChIKeyATURDEUXUMSCNS-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.35
Rot. Bonds8

About 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide

2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109248020) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109248020
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
SMILESC=CCNc1ncc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C17H20N4O4/c1-5-6-18-17-19-9-11(10-20-17)16(22)21-12-7-13(23-2)15(25-4)14(8-12)24-3/h5,7-10H,1,6H2,2-4H3,(H,21,22)(H,18,19,20)
InChIKeyATURDEUXUMSCNS-UHFFFAOYSA-N
XLogP2.35
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
N-(2-methoxyphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247975
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
6-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109161852
6-(2-methylpropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109151861
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(2,4-dichlorophenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109248027

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide (CID 109248020) is 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is C=CCNc1ncc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is ATURDEUXUMSCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-5-6-18-17-19-9-11(10-20-17)16(22)21-12-7-13(23-2)15(25-4)14(8-12)24-3/h5,7-10H,1,6H2,2-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide?
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).