7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

C16H12Cl2F3N5O2 — CID 15983724

IUPAC7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2N5.C2HF3O2/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16;3-2(4,5)1(6)7/h2-6H,1H3,(H3,17,18,19,20,21);(H,6,7)
InChIKeyAXCVCRKOWHFQBQ-UHFFFAOYSA-N
MW434.21 g/mol
LogP4.26
Rot. Bonds2

About 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 15983724) has the molecular formula C16H12Cl2F3N5O2 and a molecular weight of 434.21 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID15983724
Molecular FormulaC16H12Cl2F3N5O2
Molecular Weight434.21 g/mol
Exact Mass433.03
IUPAC Name7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESCNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H11Cl2N5.C2HF3O2/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16;3-2(4,5)1(6)7/h2-6H,1H3,(H3,17,18,19,20,21);(H,6,7)
InChIKeyAXCVCRKOWHFQBQ-UHFFFAOYSA-N
XLogP4.26
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (CID 15983724) is 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is CNc1nc(N)nc2nc(-c3ccc(Cl)cc3Cl)ccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is AXCVCRKOWHFQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5.C2HF3O2/c1-18-12-9-4-5-11(19-13(9)21-14(17)20-12)8-3-2-7(15)6-10(8)16;3-2(4,5)1(6)7/h2-6H,1H3,(H3,17,18,19,20,21);(H,6,7).
What are the key properties of 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 434.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 15983724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).