5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C16H20N4O2 — CID 148751533

IUPAC5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1CC(C)C
InChIInChI=1S/C16H20N4O2/c1-8(2)4-10-5-12(10)11-6-14(20-19-9(11)3)13-7-17-16(22)18-15(13)21/h6-8,10,12H,4-5H2,1-3H3,(H2,17,18,21,22)/t10-,12-/m0/s1
InChIKeyOEUCCJMNTOSYPJ-JQWIXIFHSA-N
MW300.36 g/mol
LogP1.98
Rot. Bonds4

About 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 148751533) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID148751533
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1CC(C)C
InChIInChI=1S/C16H20N4O2/c1-8(2)4-10-5-12(10)11-6-14(20-19-9(11)3)13-7-17-16(22)18-15(13)21/h6-8,10,12H,4-5H2,1-3H3,(H2,17,18,21,22)/t10-,12-/m0/s1
InChIKeyOEUCCJMNTOSYPJ-JQWIXIFHSA-N
XLogP1.98
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 148751533) is 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1CC(C)C.
What is the InChIKey of 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is OEUCCJMNTOSYPJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-8(2)4-10-5-12(10)11-6-14(20-19-9(11)3)13-7-17-16(22)18-15(13)21/h6-8,10,12H,4-5H2,1-3H3,(H2,17,18,21,22)/t10-,12-/m0/s1.
What are the key properties of 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 300.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methyl-5-[(1S,2S)-2-(2-methylpropyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 148751533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).