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

C14H16N4O2 — CID 151926369

IUPAC5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C
InChIInChI=1S/C14H16N4O2/c1-3-8-4-10(8)9-5-12(18-17-7(9)2)11-6-15-14(20)16-13(11)19/h5-6,8,10H,3-4H2,1-2H3,(H2,15,16,19,20)/t8-,10-/m0/s1
InChIKeySXVLKJCZFKIBAV-WPRPVWTQSA-N
MW272.31 g/mol
LogP1.34
Rot. Bonds3

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

5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 151926369) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID151926369
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C
InChIInChI=1S/C14H16N4O2/c1-3-8-4-10(8)9-5-12(18-17-7(9)2)11-6-15-14(20)16-13(11)19/h5-6,8,10H,3-4H2,1-2H3,(H2,15,16,19,20)/t8-,10-/m0/s1
InChIKeySXVLKJCZFKIBAV-WPRPVWTQSA-N
XLogP1.34
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.34
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-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 151926369) is 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is CC[C@H]1C[C@@H]1c1cc(-c2c[nH]c(=O)[nH]c2=O)nnc1C.
What is the InChIKey of 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is SXVLKJCZFKIBAV-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-8-4-10(8)9-5-12(18-17-7(9)2)11-6-15-14(20)16-13(11)19/h5-6,8,10H,3-4H2,1-2H3,(H2,15,16,19,20)/t8-,10-/m0/s1.
What are the key properties of 5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(1S,2S)-2-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 272.31 g/mol, XLogP of 1.34, 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-ethylcyclopropyl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 151926369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).