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

C18H21F3N6 — CID 86342303

IUPAC2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCNC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21F3N6/c19-18(20,21)13-4-6-23-15(9-13)25-16-10-14(12-3-5-22-11-12)24-17(26-16)27-7-1-2-8-27/h4,6,9-10,12,22H,1-3,5,7-8,11H2,(H,23,24,25,26)
InChIKeyAAFDZNCZUQRXIO-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.31
Rot. Bonds4

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

2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 86342303) has the molecular formula C18H21F3N6 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID86342303
Molecular FormulaC18H21F3N6
Molecular Weight378.40 g/mol
Exact Mass378.18
IUPAC Name2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(C3CCNC3)nc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21F3N6/c19-18(20,21)13-4-6-23-15(9-13)25-16-10-14(12-3-5-22-11-12)24-17(26-16)27-7-1-2-8-27/h4,6,9-10,12,22H,1-3,5,7-8,11H2,(H,23,24,25,26)
InChIKeyAAFDZNCZUQRXIO-UHFFFAOYSA-N
XLogP3.31
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 86342303) is 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC(F)(F)c1ccnc(Nc2cc(C3CCNC3)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is AAFDZNCZUQRXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6/c19-18(20,21)13-4-6-23-15(9-13)25-16-10-14(12-3-5-22-11-12)24-17(26-16)27-7-1-2-8-27/h4,6,9-10,12,22H,1-3,5,7-8,11H2,(H,23,24,25,26).
What are the key properties of 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 378.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-6-pyrrolidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 86342303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).