3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

C18H20F3N5 — CID 68770170

IUPAC3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1cc2c(nc1-c1ccccc1C(F)(F)F)N=C(N)N(C)C2N
InChIInChI=1S/C18H20F3N5/c1-3-6-10-9-12-15(22)26(2)17(23)25-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9,15H,3,6,22H2,1-2H3,(H2,23,24,25)
InChIKeyGBJPXACHUHWPOA-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.57
Rot. Bonds3

About 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine

3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 68770170) has the molecular formula C18H20F3N5 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID68770170
Molecular FormulaC18H20F3N5
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1cc2c(nc1-c1ccccc1C(F)(F)F)N=C(N)N(C)C2N
InChIInChI=1S/C18H20F3N5/c1-3-6-10-9-12-15(22)26(2)17(23)25-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9,15H,3,6,22H2,1-2H3,(H2,23,24,25)
InChIKeyGBJPXACHUHWPOA-UHFFFAOYSA-N
XLogP3.57
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine (CID 68770170) is 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is CCCc1cc2c(nc1-c1ccccc1C(F)(F)F)N=C(N)N(C)C2N.
What is the InChIKey of 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GBJPXACHUHWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5/c1-3-6-10-9-12-15(22)26(2)17(23)25-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9,15H,3,6,22H2,1-2H3,(H2,23,24,25).
What are the key properties of 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine?
3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]-4H-pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68770170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).