4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C19H15F3N6 — CID 141163355

IUPAC4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(-n4cccc4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N6/c1-24-16-11-7-8-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)5-4-6-14(15)28-9-2-3-10-28/h2-10H,1H3,(H3,23,24,25,26,27)
InChIKeyDWLCOGJDVKOZOS-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.13
Rot. Bonds3

About 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 141163355) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID141163355
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(-n4cccc4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H15F3N6/c1-24-16-11-7-8-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)5-4-6-14(15)28-9-2-3-10-28/h2-10H,1H3,(H3,23,24,25,26,27)
InChIKeyDWLCOGJDVKOZOS-UHFFFAOYSA-N
XLogP4.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 141163355) is 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(-n4cccc4)cccc3C(F)(F)F)ccc12.
What is the InChIKey of 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DWLCOGJDVKOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c1-24-16-11-7-8-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)5-4-6-14(15)28-9-2-3-10-28/h2-10H,1H3,(H3,23,24,25,26,27).
What are the key properties of 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 384.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-7-[2-pyrrol-1-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141163355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).