6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

C12H12F3N5 — CID 90016788

IUPAC6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(N3CCC(C(F)(F)F)C3)nc12
InChIInChI=1S/C12H12F3N5/c13-12(14,15)7-3-4-20(5-7)9-2-1-8-10(19-9)11(16)18-6-17-8/h1-2,6-7H,3-5H2,(H2,16,17,18)
InChIKeyDGIOWXYRNPGPDK-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.00
Rot. Bonds1

About 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90016788) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90016788
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(N3CCC(C(F)(F)F)C3)nc12
InChIInChI=1S/C12H12F3N5/c13-12(14,15)7-3-4-20(5-7)9-2-1-8-10(19-9)11(16)18-6-17-8/h1-2,6-7H,3-5H2,(H2,16,17,18)
InChIKeyDGIOWXYRNPGPDK-UHFFFAOYSA-N
XLogP2.00
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (CID 90016788) is 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(N3CCC(C(F)(F)F)C3)nc12.
What is the InChIKey of 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DGIOWXYRNPGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)7-3-4-20(5-7)9-2-1-8-10(19-9)11(16)18-6-17-8/h1-2,6-7H,3-5H2,(H2,16,17,18).
What are the key properties of 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 283.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90016788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).