2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one

C15H16ClN5O2 — CID 126939019

IUPAC2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(Cl)cn1
InChIInChI=1S/C15H16ClN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19)
InChIKeyWYUAPWMFQSZAHS-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one

2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one (PubChem CID 126939019) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
PubChem CID126939019
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(Cl)cn1
InChIInChI=1S/C15H16ClN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19)
InChIKeyWYUAPWMFQSZAHS-UHFFFAOYSA-N
XLogP1.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one (CID 126939019) is 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1ncc(Cl)cn1.
What is the InChIKey of 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one?
The InChIKey is WYUAPWMFQSZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-10-5-17-15(18-6-10)19-12-7-23-8-13(12)21-14(22)4-3-11(20-21)9-1-2-9/h3-6,9,12-13H,1-2,7-8H2,(H,17,18,19).
What are the key properties of 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one?
2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one has a molecular weight of 333.78 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126939019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).