2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C16H18F2N6O2 — CID 162378779

IUPAC2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCN1C(=O)CCn2nc(-c3c(OC(F)F)ncnc3C3CC3)nc21
InChIInChI=1S/C16H18F2N6O2/c1-2-6-23-10(25)5-7-24-16(23)21-13(22-24)11-12(9-3-4-9)19-8-20-14(11)26-15(17)18/h8-9,15H,2-7H2,1H3
InChIKeyNVUBDRFDRXHDMT-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 162378779) has the molecular formula C16H18F2N6O2 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID162378779
Molecular FormulaC16H18F2N6O2
Molecular Weight364.36 g/mol
Exact Mass364.15
IUPAC Name2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCN1C(=O)CCn2nc(-c3c(OC(F)F)ncnc3C3CC3)nc21
InChIInChI=1S/C16H18F2N6O2/c1-2-6-23-10(25)5-7-24-16(23)21-13(22-24)11-12(9-3-4-9)19-8-20-14(11)26-15(17)18/h8-9,15H,2-7H2,1H3
InChIKeyNVUBDRFDRXHDMT-UHFFFAOYSA-N
XLogP2.36
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 162378779) is 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCN1C(=O)CCn2nc(-c3c(OC(F)F)ncnc3C3CC3)nc21.
What is the InChIKey of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NVUBDRFDRXHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O2/c1-2-6-23-10(25)5-7-24-16(23)21-13(22-24)11-12(9-3-4-9)19-8-20-14(11)26-15(17)18/h8-9,15H,2-7H2,1H3.
What are the key properties of 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 364.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(difluoromethoxy)pyrimidin-5-yl]-4-propyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 162378779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).