5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C12H10F2N4O2 — CID 148592042

IUPAC5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)F)cnn2)c(=O)[nH]1
InChIInChI=1S/C12H10F2N4O2/c13-10(14)7-2-6(7)5-1-9(18-16-3-5)8-4-15-12(20)17-11(8)19/h1,3-4,6-7,10H,2H2,(H2,15,17,19,20)/t6-,7+/m1/s1
InChIKeyNAVHOBCZULINJZ-RQJHMYQMSA-N
MW280.23 g/mol
LogP0.89
Rot. Bonds3

About 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 148592042) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID148592042
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)F)cnn2)c(=O)[nH]1
InChIInChI=1S/C12H10F2N4O2/c13-10(14)7-2-6(7)5-1-9(18-16-3-5)8-4-15-12(20)17-11(8)19/h1,3-4,6-7,10H,2H2,(H2,15,17,19,20)/t6-,7+/m1/s1
InChIKeyNAVHOBCZULINJZ-RQJHMYQMSA-N
XLogP0.89
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 148592042) is 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc([C@H]3C[C@@H]3C(F)F)cnn2)c(=O)[nH]1.
What is the InChIKey of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is NAVHOBCZULINJZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-10(14)7-2-6(7)5-1-9(18-16-3-5)8-4-15-12(20)17-11(8)19/h1,3-4,6-7,10H,2H2,(H2,15,17,19,20)/t6-,7+/m1/s1.
What are the key properties of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 280.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 148592042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).