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

C19H19F3N6O — CID 15983861

IUPAC4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCOCC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N6O/c1-24-16-11-5-6-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)3-2-4-14(15)28-7-9-29-10-8-28/h2-6H,7-10H2,1H3,(H3,23,24,25,26,27)
InChIKeyDSVRNHSESODOMU-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.17
Rot. Bonds3

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

4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983861) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983861
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCOCC4)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C19H19F3N6O/c1-24-16-11-5-6-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)3-2-4-14(15)28-7-9-29-10-8-28/h2-6H,7-10H2,1H3,(H3,23,24,25,26,27)
InChIKeyDSVRNHSESODOMU-UHFFFAOYSA-N
XLogP3.17
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983861) is 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(N4CCOCC4)cccc3C(F)(F)F)ccc12.
What is the InChIKey of 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DSVRNHSESODOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-24-16-11-5-6-13(25-17(11)27-18(23)26-16)15-12(19(20,21)22)3-2-4-14(15)28-7-9-29-10-8-28/h2-6H,7-10H2,1H3,(H3,23,24,25,26,27).
What are the key properties of 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 404.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-7-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).