6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

C20H15F3N4O — CID 112851824

IUPAC6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H15F3N4O/c21-13-8-9-14(18(23)17(13)22)26-20(28)15-10-16(24-12-6-7-12)27-19(25-15)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H,26,28)(H,24,25,27)
InChIKeyNVFBJNQVRDRNIA-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.39
Rot. Bonds5

About 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide

6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (PubChem CID 112851824) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
PubChem CID112851824
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H15F3N4O/c21-13-8-9-14(18(23)17(13)22)26-20(28)15-10-16(24-12-6-7-12)27-19(25-15)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H,26,28)(H,24,25,27)
InChIKeyNVFBJNQVRDRNIA-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
N-(1,3-benzodioxol-5-yl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851815
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
1-[4-[6-(cyclopropylamino)-2-phenylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 112851714
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide (CID 112851824) is 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is NVFBJNQVRDRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-13-8-9-14(18(23)17(13)22)26-20(28)15-10-16(24-12-6-7-12)27-19(25-15)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H,26,28)(H,24,25,27).
What are the key properties of 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 384.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-phenyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).