6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C13H11ClF3N5 — CID 2773911

IUPAC6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C13H11ClF3N5/c14-9-3-8(13(15,16)17)5-19-11(9)22-2-1-10-7(6-22)4-20-12(18)21-10/h3-5H,1-2,6H2,(H2,18,20,21)
InChIKeyFJFXKJLCRHRVIH-UHFFFAOYSA-N
MW329.71 g/mol
LogP2.69
Rot. Bonds1

About 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 2773911) has the molecular formula C13H11ClF3N5 and a molecular weight of 329.71 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID2773911
Molecular FormulaC13H11ClF3N5
Molecular Weight329.71 g/mol
Exact Mass329.07
IUPAC Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C13H11ClF3N5/c14-9-3-8(13(15,16)17)5-19-11(9)22-2-1-10-7(6-22)4-20-12(18)21-10/h3-5H,1-2,6H2,(H2,18,20,21)
InChIKeyFJFXKJLCRHRVIH-UHFFFAOYSA-N
XLogP2.69
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 2773911) is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is FJFXKJLCRHRVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5/c14-9-3-8(13(15,16)17)5-19-11(9)22-2-1-10-7(6-22)4-20-12(18)21-10/h3-5H,1-2,6H2,(H2,18,20,21).
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 329.71 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 2773911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).