7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

C21H23F3N6O — CID 15982188

IUPAC7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCCC4COC)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C21H23F3N6O/c1-26-18-13-8-9-15(27-19(13)29-20(25)28-18)17-14(21(22,23)24)6-3-7-16(17)30-10-4-5-12(30)11-31-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyOIAVXIPZYZXIGL-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.95
Rot. Bonds5

About 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine

7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15982188) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15982188
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N)nc2nc(-c3c(N4CCCC4COC)cccc3C(F)(F)F)ccc12
InChIInChI=1S/C21H23F3N6O/c1-26-18-13-8-9-15(27-19(13)29-20(25)28-18)17-14(21(22,23)24)6-3-7-16(17)30-10-4-5-12(30)11-31-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,25,26,27,28,29)
InChIKeyOIAVXIPZYZXIGL-UHFFFAOYSA-N
XLogP3.95
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15982188) is 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N)nc2nc(-c3c(N4CCCC4COC)cccc3C(F)(F)F)ccc12.
What is the InChIKey of 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is OIAVXIPZYZXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-26-18-13-8-9-15(27-19(13)29-20(25)28-18)17-14(21(22,23)24)6-3-7-16(17)30-10-4-5-12(30)11-31-2/h3,6-9,12H,4-5,10-11H2,1-2H3,(H3,25,26,27,28,29).
What are the key properties of 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 432.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15982188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).