7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C15H11F4N5 — CID 15982968

IUPAC7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C15H11F4N5/c1-21-12-7-5-6-10(22-13(7)24-14(20)23-12)11-8(15(17,18)19)3-2-4-9(11)16/h2-6H,1H3,(H3,20,21,22,23,24)
InChIKeyQFTYBQNNOFAYAF-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.47
Rot. Bonds2

About 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982968) has the molecular formula C15H11F4N5 and a molecular weight of 337.28 g/mol. Its IUPAC name is 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982968
Molecular FormulaC15H11F4N5
Molecular Weight337.28 g/mol
Exact Mass337.10
IUPAC Name7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(F)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C15H11F4N5/c1-21-12-7-5-6-10(22-13(7)24-14(20)23-12)11-8(15(17,18)19)3-2-4-9(11)16/h2-6H,1H3,(H3,20,21,22,23,24)
InChIKeyQFTYBQNNOFAYAF-UHFFFAOYSA-N
XLogP3.47
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982968) is 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(F)cccc3C(F)(F)F)ccc12.
What is the InChIKey of 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QFTYBQNNOFAYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N5/c1-21-12-7-5-6-10(22-13(7)24-14(20)23-12)11-8(15(17,18)19)3-2-4-9(11)16/h2-6H,1H3,(H3,20,21,22,23,24).
What are the key properties of 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 337.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).