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

C13H14FN5O2 — CID 165128862

IUPAC5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@H](F)C1
InChIInChI=1S/C13H14FN5O2/c1-7-11(19-3-2-8(14)6-19)4-10(18-17-7)9-5-15-13(21)16-12(9)20/h4-5,8H,2-3,6H2,1H3,(H2,15,16,20,21)/t8-/m0/s1
InChIKeyCYXWKVAJCDRULM-QMMMGPOBSA-N
MW291.29 g/mol
LogP0.38
Rot. Bonds2

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

5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128862) has the molecular formula C13H14FN5O2 and a molecular weight of 291.29 g/mol. Its IUPAC name is 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128862
Molecular FormulaC13H14FN5O2
Molecular Weight291.29 g/mol
Exact Mass291.11
IUPAC Name5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@H](F)C1
InChIInChI=1S/C13H14FN5O2/c1-7-11(19-3-2-8(14)6-19)4-10(18-17-7)9-5-15-13(21)16-12(9)20/h4-5,8H,2-3,6H2,1H3,(H2,15,16,20,21)/t8-/m0/s1
InChIKeyCYXWKVAJCDRULM-QMMMGPOBSA-N
XLogP0.38
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128862) is 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1nnc(-c2c[nH]c(=O)[nH]c2=O)cc1N1CC[C@H](F)C1.
What is the InChIKey of 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is CYXWKVAJCDRULM-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14FN5O2/c1-7-11(19-3-2-8(14)6-19)4-10(18-17-7)9-5-15-13(21)16-12(9)20/h4-5,8H,2-3,6H2,1H3,(H2,15,16,20,21)/t8-/m0/s1.
What are the key properties of 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 291.29 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).