6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine

C19H26F2N6O2S — CID 169075919

IUPAC6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1c1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H26F2N6O2S/c1-12-4-3-7-27(12)18-16-13(10-15(24-18)17(20)21)11-22-19(25-16)23-14-5-8-26(9-6-14)30(2,28)29/h10-12,14,17H,3-9H2,1-2H3,(H,22,23,25)/t12-/m1/s1
InChIKeyRDFSLQYYDUOMGY-GFCCVEGCSA-N
MW440.52 g/mol
LogP2.79
Rot. Bonds5

About 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine

6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 169075919) has the molecular formula C19H26F2N6O2S and a molecular weight of 440.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID169075919
Molecular FormulaC19H26F2N6O2S
Molecular Weight440.52 g/mol
Exact Mass440.18
IUPAC Name6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESC[C@@H]1CCCN1c1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12
InChIInChI=1S/C19H26F2N6O2S/c1-12-4-3-7-27(12)18-16-13(10-15(24-18)17(20)21)11-22-19(25-16)23-14-5-8-26(9-6-14)30(2,28)29/h10-12,14,17H,3-9H2,1-2H3,(H,22,23,25)/t12-/m1/s1
InChIKeyRDFSLQYYDUOMGY-GFCCVEGCSA-N
XLogP2.79
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 169075919) is 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is C[C@@H]1CCCN1c1nc(C(F)F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc12.
What is the InChIKey of 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is RDFSLQYYDUOMGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H26F2N6O2S/c1-12-4-3-7-27(12)18-16-13(10-15(24-18)17(20)21)11-22-19(25-16)23-14-5-8-26(9-6-14)30(2,28)29/h10-12,14,17H,3-9H2,1-2H3,(H,22,23,25)/t12-/m1/s1.
What are the key properties of 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 440.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-8-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 169075919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).