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

C18H18F3N5 — CID 15982447

IUPAC4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N5/c1-3-6-10-9-12-15(23-2)25-17(22)26-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9H,3,6H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyOCEGXBRUTWPKCG-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.29
Rot. Bonds4

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

4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982447) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982447
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC Name4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C18H18F3N5/c1-3-6-10-9-12-15(23-2)25-17(22)26-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9H,3,6H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyOCEGXBRUTWPKCG-UHFFFAOYSA-N
XLogP4.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982447) is 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CCCc1cc2c(NC)nc(N)nc2nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OCEGXBRUTWPKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c1-3-6-10-9-12-15(23-2)25-17(22)26-16(12)24-14(10)11-7-4-5-8-13(11)18(19,20)21/h4-5,7-9H,3,6H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 361.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-propyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).