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

C19H23F3N6 — CID 86342102

IUPAC6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCCNC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27)
InChIKeyZJTFBJWIKGEKQC-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.70
Rot. Bonds4

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

6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 86342102) has the molecular formula C19H23F3N6 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID86342102
Molecular FormulaC19H23F3N6
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCCNC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27)
InChIKeyZJTFBJWIKGEKQC-UHFFFAOYSA-N
XLogP3.70
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 86342102) is 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)c1ccnc(Nc2cc(C3CCCNC3)nc(N3CCCC3)n2)c1.
What is the InChIKey of 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is ZJTFBJWIKGEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27).
What are the key properties of 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 392.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-3-yl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 86342102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).