4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C16H14F3N5 — CID 15983852

IUPAC4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C16H14F3N5/c1-2-21-13-10-7-8-12(22-14(10)24-15(20)23-13)9-5-3-4-6-11(9)16(17,18)19/h3-8H,2H2,1H3,(H3,20,21,22,23,24)
InChIKeySINOAJABUYKIPC-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.72
Rot. Bonds3

About 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983852) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983852
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12
InChIInChI=1S/C16H14F3N5/c1-2-21-13-10-7-8-12(22-14(10)24-15(20)23-13)9-5-3-4-6-11(9)16(17,18)19/h3-8H,2H2,1H3,(H3,20,21,22,23,24)
InChIKeySINOAJABUYKIPC-UHFFFAOYSA-N
XLogP3.72
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983852) is 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N)nc2nc(-c3ccccc3C(F)(F)F)ccc12.
What is the InChIKey of 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SINOAJABUYKIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-2-21-13-10-7-8-12(22-14(10)24-15(20)23-13)9-5-3-4-6-11(9)16(17,18)19/h3-8H,2H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 333.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).