4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

C8H9F3N4 — CID 57365189

IUPAC4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)6-4-3-13-2-1-5(4)14-7(12)15-6/h13H,1-3H2,(H2,12,14,15)
InChIKeyBTWQLWCLRSXROX-UHFFFAOYSA-N
MW218.18 g/mol
LogP0.72
Rot. Bonds

About 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 57365189) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID57365189
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(C(F)(F)F)n1)CNCC2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)6-4-3-13-2-1-5(4)14-7(12)15-6/h13H,1-3H2,(H2,12,14,15)
InChIKeyBTWQLWCLRSXROX-UHFFFAOYSA-N
XLogP0.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 57365189) is 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is Nc1nc2c(c(C(F)(F)F)n1)CNCC2.
What is the InChIKey of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is BTWQLWCLRSXROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)6-4-3-13-2-1-5(4)14-7(12)15-6/h13H,1-3H2,(H2,12,14,15).
What are the key properties of 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 218.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 57365189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).