N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

C14H11F3N4O — CID 109339802

IUPACN-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C14H11F3N4O/c1-2-5-18-14(22)10-6-11(20-7-19-10)21-9-4-3-8(15)12(16)13(9)17/h2-4,6-7H,1,5H2,(H,18,22)(H,19,20,21)
InChIKeyFCXGHBXWVGCRAB-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.55
Rot. Bonds5

About N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide

N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109339802) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
PubChem CID109339802
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC NameN-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ncn1
InChIInChI=1S/C14H11F3N4O/c1-2-5-18-14(22)10-6-11(20-7-19-10)21-9-4-3-8(15)12(16)13(9)17/h2-4,6-7H,1,5H2,(H,18,22)(H,19,20,21)
InChIKeyFCXGHBXWVGCRAB-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N-[(4-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109348490
6-[4-(diethylamino)-2-methylanilino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339796
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
6-(2,6-dichloroanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339792
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
6-(4-fluoroanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357987
6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
6-(4-ethylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109357363

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide (CID 109339802) is N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(Nc2ccc(F)c(F)c2F)ncn1.
What is the InChIKey of N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is FCXGHBXWVGCRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-2-5-18-14(22)10-6-11(20-7-19-10)21-9-4-3-8(15)12(16)13(9)17/h2-4,6-7H,1,5H2,(H,18,22)(H,19,20,21).
What are the key properties of N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide?
N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 308.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109339802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).