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

C19H17N5O3 — CID 166999603

IUPAC5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1/C=C/c1ccncc1
InChIInChI=1S/C19H17N5O3/c1-27-18-14(13-8-12(13)3-2-11-4-6-20-7-5-11)9-16(23-24-18)15-10-21-19(26)22-17(15)25/h2-7,9-10,12-13H,8H2,1H3,(H2,21,22,25,26)/b3-2+/t12-,13-/m0/s1
InChIKeyGRRZQZGQCUFTLF-IVPXFZNXSA-N
MW363.38 g/mol
LogP1.74
Rot. Bonds5

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

5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 166999603) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID166999603
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCOc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1/C=C/c1ccncc1
InChIInChI=1S/C19H17N5O3/c1-27-18-14(13-8-12(13)3-2-11-4-6-20-7-5-11)9-16(23-24-18)15-10-21-19(26)22-17(15)25/h2-7,9-10,12-13H,8H2,1H3,(H2,21,22,25,26)/b3-2+/t12-,13-/m0/s1
InChIKeyGRRZQZGQCUFTLF-IVPXFZNXSA-N
XLogP1.74
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.74
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,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 166999603) is 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is COc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1[C@H]1C[C@@H]1/C=C/c1ccncc1.
What is the InChIKey of 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is GRRZQZGQCUFTLF-IVPXFZNXSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-27-18-14(13-8-12(13)3-2-11-4-6-20-7-5-11)9-16(23-24-18)15-10-21-19(26)22-17(15)25/h2-7,9-10,12-13H,8H2,1H3,(H2,21,22,25,26)/b3-2+/t12-,13-/m0/s1.
What are the key properties of 5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[6-methoxy-5-[(1S,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.38 g/mol, XLogP of 1.74, 5 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,2R)-2-[(E)-2-pyridin-4-ylethenyl]cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166999603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).