2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C16H15F4N5O2 — CID 134556481

IUPAC2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(NC2CCC2)n1
InChIInChI=1S/C16H15F4N5O2/c17-13-6-12(27-8-16(18,19)20)11(7-22-13)24-14(26)10-4-5-21-15(25-10)23-9-2-1-3-9/h4-7,9H,1-3,8H2,(H,24,26)(H,21,23,25)
InChIKeyVAOOBFAJBZXGEB-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.17
Rot. Bonds6

About 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 134556481) has the molecular formula C16H15F4N5O2 and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID134556481
Molecular FormulaC16H15F4N5O2
Molecular Weight385.32 g/mol
Exact Mass385.12
IUPAC Name2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(NC2CCC2)n1
InChIInChI=1S/C16H15F4N5O2/c17-13-6-12(27-8-16(18,19)20)11(7-22-13)24-14(26)10-4-5-21-15(25-10)23-9-2-1-3-9/h4-7,9H,1-3,8H2,(H,24,26)(H,21,23,25)
InChIKeyVAOOBFAJBZXGEB-UHFFFAOYSA-N
XLogP3.17
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclopropylamino)pyrimidine-4-carboxamide
CID 109295693
2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556610
2-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109295653
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556726
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 134556481) is 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1cnc(F)cc1OCC(F)(F)F)c1ccnc(NC2CCC2)n1.
What is the InChIKey of 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is VAOOBFAJBZXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5O2/c17-13-6-12(27-8-16(18,19)20)11(7-22-13)24-14(26)10-4-5-21-15(25-10)23-9-2-1-3-9/h4-7,9H,1-3,8H2,(H,24,26)(H,21,23,25).
What are the key properties of 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 385.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 134556481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).