5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C13H12F2N4O2 — CID 147966732

IUPAC5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C13H12F2N4O2/c1-5-6(7-2-8(7)11(14)15)3-10(19-18-5)9-4-16-13(21)17-12(9)20/h3-4,7-8,11H,2H2,1H3,(H2,16,17,20,21)/t7-,8+/m1/s1
InChIKeyIQOAJMSCDHFOGX-SFYZADRCSA-N
MW294.26 g/mol
LogP1.20
Rot. Bonds3

About 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 147966732) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID147966732
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C13H12F2N4O2/c1-5-6(7-2-8(7)11(14)15)3-10(19-18-5)9-4-16-13(21)17-12(9)20/h3-4,7-8,11H,2H2,1H3,(H2,16,17,20,21)/t7-,8+/m1/s1
InChIKeyIQOAJMSCDHFOGX-SFYZADRCSA-N
XLogP1.20
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.20
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]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 147966732) is 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is IQOAJMSCDHFOGX-SFYZADRCSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-5-6(7-2-8(7)11(14)15)3-10(19-18-5)9-4-16-13(21)17-12(9)20/h3-4,7-8,11H,2H2,1H3,(H2,16,17,20,21)/t7-,8+/m1/s1.
What are the key properties of 5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 294.26 g/mol, XLogP of 1.20, 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]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 147966732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).