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

C17H17N5O3 — CID 166999461

IUPAC5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1CC1c1cccn1C
InChIInChI=1S/C17H17N5O3/c1-22-5-3-4-14(22)10-6-9(10)11-7-13(20-21-16(11)25-2)12-8-18-17(24)19-15(12)23/h3-5,7-10H,6H2,1-2H3,(H2,18,19,23,24)/t9-,10?/m0/s1
InChIKeyAHVXWESUTLUFLK-RGURZIINSA-N
MW339.36 g/mol
LogP1.14
Rot. Bonds4

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

5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999461) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999461
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1CC1c1cccn1C
InChIInChI=1S/C17H17N5O3/c1-22-5-3-4-14(22)10-6-9(10)11-7-13(20-21-16(11)25-2)12-8-18-17(24)19-15(12)23/h3-5,7-10H,6H2,1-2H3,(H2,18,19,23,24)/t9-,10?/m0/s1
InChIKeyAHVXWESUTLUFLK-RGURZIINSA-N
XLogP1.14
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999461) is 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1CC1c1cccn1C.
What is the InChIKey of 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is AHVXWESUTLUFLK-RGURZIINSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-22-5-3-4-14(22)10-6-9(10)11-7-13(20-21-16(11)25-2)12-8-18-17(24)19-15(12)23/h3-5,7-10H,6H2,1-2H3,(H2,18,19,23,24)/t9-,10?/m0/s1.
What are the key properties of 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 339.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-5-[(1S)-2-(1-methylpyrrol-2-yl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).