8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

C16H13F5N4 — CID 141043897

IUPAC8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESFC(F)(F)C(F)(F)CN1CC=Cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H13F5N4/c17-15(18,16(19,20)21)10-25-8-4-5-11-9-22-14(24-13(11)25)23-12-6-2-1-3-7-12/h1-7,9H,8,10H2,(H,22,23,24)
InChIKeyIYRFTIIKIUPCCU-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.25
Rot. Bonds4

About 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine

8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 141043897) has the molecular formula C16H13F5N4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
PubChem CID141043897
Molecular FormulaC16H13F5N4
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
SMILESFC(F)(F)C(F)(F)CN1CC=Cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C16H13F5N4/c17-15(18,16(19,20)21)10-25-8-4-5-11-9-22-14(24-13(11)25)23-12-6-2-1-3-7-12/h1-7,9H,8,10H2,(H,22,23,24)
InChIKeyIYRFTIIKIUPCCU-UHFFFAOYSA-N
XLogP4.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(3-methylbut-2-enyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70114677
8-(3-phenoxypropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 70111674
3-[[8-(cyclopropylmethyl)-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenol
CID 141043898
8-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043845
N-[3-bromo-4-(trifluoromethoxy)phenyl]-8-ethyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043975
N-(4-bromo-3-chlorophenyl)-8-propyl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 154452091
N-(3,5-difluorophenyl)-8-pentan-3-yl-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043875
8-cyclopentyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043984
4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-phenyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210207
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
8-butan-2-yl-N-(4-chloro-3-methylphenyl)-7H-pyrido[2,3-d]pyrimidin-2-amine
CID 141043958
2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 18375160

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine (CID 141043897) is 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is FC(F)(F)C(F)(F)CN1CC=Cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is IYRFTIIKIUPCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4/c17-15(18,16(19,20)21)10-25-8-4-5-11-9-22-14(24-13(11)25)23-12-6-2-1-3-7-12/h1-7,9H,8,10H2,(H,22,23,24).
What are the key properties of 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine?
8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 356.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,3,3,3-pentafluoropropyl)-N-phenyl-7H-pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141043897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).