2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C19H23N5O2S — CID 126939755

IUPAC2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc3c(cc2=O)CSCC3)nc(C2CC2)n1
InChIInChI=1S/C19H23N5O2S/c1-11-6-17(22-19(20-11)12-2-3-12)21-15-8-26-9-16(15)24-18(25)7-13-10-27-5-4-14(13)23-24/h6-7,12,15-16H,2-5,8-10H2,1H3,(H,20,21,22)
InChIKeyDHGRHUGJEOCGEF-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.06
Rot. Bonds4

About 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126939755) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126939755
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESCc1cc(NC2COCC2n2nc3c(cc2=O)CSCC3)nc(C2CC2)n1
InChIInChI=1S/C19H23N5O2S/c1-11-6-17(22-19(20-11)12-2-3-12)21-15-8-26-9-16(15)24-18(25)7-13-10-27-5-4-14(13)23-24/h6-7,12,15-16H,2-5,8-10H2,1H3,(H,20,21,22)
InChIKeyDHGRHUGJEOCGEF-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126939755) is 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is Cc1cc(NC2COCC2n2nc3c(cc2=O)CSCC3)nc(C2CC2)n1.
What is the InChIKey of 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is DHGRHUGJEOCGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-11-6-17(22-19(20-11)12-2-3-12)21-15-8-26-9-16(15)24-18(25)7-13-10-27-5-4-14(13)23-24/h6-7,12,15-16H,2-5,8-10H2,1H3,(H,20,21,22).
What are the key properties of 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 385.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126939755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).