2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C19H21F5N6 — CID 86342128

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCCNC3)n2)C1
InChIInChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29)
InChIKeySKVWGAYKWDVXNG-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.95
Rot. Bonds4

About 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 86342128) has the molecular formula C19H21F5N6 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID86342128
Molecular FormulaC19H21F5N6
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCCNC3)n2)C1
InChIInChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29)
InChIKeySKVWGAYKWDVXNG-UHFFFAOYSA-N
XLogP3.95
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 86342128) is 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC1(F)CCN(c2nc(Nc3cc(C(F)(F)F)ccn3)cc(C3CCCNC3)n2)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is SKVWGAYKWDVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 428.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 86342128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).