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

C22H18N4O2 — CID 169288691

IUPAC5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-12-16(10-20(26-25-12)19-11-23-22(28)24-21(19)27)18-9-17(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,10-11,17-18H,9H2,1H3,(H2,23,24,27,28)/t17-,18-/m1/s1
InChIKeyANNBPRRHVXTMPZ-QZTJIDSGSA-N
MW370.41 g/mol
LogP3.25
Rot. Bonds3

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

5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 169288691) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID169288691
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1cccc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-12-16(10-20(26-25-12)19-11-23-22(28)24-21(19)27)18-9-17(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,10-11,17-18H,9H2,1H3,(H2,23,24,27,28)/t17-,18-/m1/s1
InChIKeyANNBPRRHVXTMPZ-QZTJIDSGSA-N
XLogP3.25
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.25
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-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 169288691) is 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1c1cccc2ccccc12.
What is the InChIKey of 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is ANNBPRRHVXTMPZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-12-16(10-20(26-25-12)19-11-23-22(28)24-21(19)27)18-9-17(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-8,10-11,17-18H,9H2,1H3,(H2,23,24,27,28)/t17-,18-/m1/s1.
What are the key properties of 5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methyl-5-[(1S,2S)-2-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of 3.25, 3 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-naphthalen-1-ylcyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169288691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).