N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

C19H19F3N4O — CID 143395562

IUPACN,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCCOc1cccc(C(F)(F)F)c1-c1ccc2c(NC)nc(C)nc2n1
InChIInChI=1S/C19H19F3N4O/c1-4-10-27-15-7-5-6-13(19(20,21)22)16(15)14-9-8-12-17(23-3)24-11(2)25-18(12)26-14/h5-9H,4,10H2,1-3H3,(H,23,24,25,26)
InChIKeyCAROLSKKJCWCOL-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.85
Rot. Bonds5

About N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine

N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 143395562) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID143395562
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCCCOc1cccc(C(F)(F)F)c1-c1ccc2c(NC)nc(C)nc2n1
InChIInChI=1S/C19H19F3N4O/c1-4-10-27-15-7-5-6-13(19(20,21)22)16(15)14-9-8-12-17(23-3)24-11(2)25-18(12)26-14/h5-9H,4,10H2,1-3H3,(H,23,24,25,26)
InChIKeyCAROLSKKJCWCOL-UHFFFAOYSA-N
XLogP4.85
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine (CID 143395562) is N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is CCCOc1cccc(C(F)(F)F)c1-c1ccc2c(NC)nc(C)nc2n1.
What is the InChIKey of N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is CAROLSKKJCWCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-4-10-27-15-7-5-6-13(19(20,21)22)16(15)14-9-8-12-17(23-3)24-11(2)25-18(12)26-14/h5-9H,4,10H2,1-3H3,(H,23,24,25,26).
What are the key properties of N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine?
N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 376.38 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-[2-propoxy-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143395562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).