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

C19H23N5O2S — CID 126939742

IUPAC2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1cc(C3CCC3)ncn1)CCSC2
InChIInChI=1S/C19H23N5O2S/c25-19-6-13-10-27-5-4-14(13)23-24(19)17-9-26-8-16(17)22-18-7-15(20-11-21-18)12-2-1-3-12/h6-7,11-12,16-17H,1-5,8-10H2,(H,20,21,22)
InChIKeyNSBYGJKSGFGDHP-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.14
Rot. Bonds4

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

2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126939742) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126939742
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1COCC1Nc1cc(C3CCC3)ncn1)CCSC2
InChIInChI=1S/C19H23N5O2S/c25-19-6-13-10-27-5-4-14(13)23-24(19)17-9-26-8-16(17)22-18-7-15(20-11-21-18)12-2-1-3-12/h6-7,11-12,16-17H,1-5,8-10H2,(H,20,21,22)
InChIKeyNSBYGJKSGFGDHP-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126939741
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
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]quinoxaline-2-carboxamide
CID 126939679
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939335
2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
1-methyl-N-[4-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)oxolan-3-yl]indazole-3-carboxamide
CID 126939702
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126939742) is 2-[4-[(6-cyclobutylpyrimidin-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-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1C1COCC1Nc1cc(C3CCC3)ncn1)CCSC2.
What is the InChIKey of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is NSBYGJKSGFGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-19-6-13-10-27-5-4-14(13)23-24(19)17-9-26-8-16(17)22-18-7-15(20-11-21-18)12-2-1-3-12/h6-7,11-12,16-17H,1-5,8-10H2,(H,20,21,22).
What are the key properties of 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[4-[(6-cyclobutylpyrimidin-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 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126939742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).