5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione

C10H14N2O5 — CID 86579073

IUPAC5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2C[C@H](O)C2(O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-5-3-12(9(15)11-8(5)14)4-6-2-7(13)10(6,16)17/h3,6-7,13,16-17H,2,4H2,1H3,(H,11,14,15)/t6-,7-/m0/s1
InChIKeyHDNYYZBDPRGALQ-BQBZGAKWSA-N
MW242.23 g/mol
LogP-2.09
Rot. Bonds2

About 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione

5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione (PubChem CID 86579073) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione
PubChem CID86579073
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione
SMILESCc1cn(C[C@@H]2C[C@H](O)C2(O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-5-3-12(9(15)11-8(5)14)4-6-2-7(13)10(6,16)17/h3,6-7,13,16-17H,2,4H2,1H3,(H,11,14,15)/t6-,7-/m0/s1
InChIKeyHDNYYZBDPRGALQ-BQBZGAKWSA-N
XLogP-2.09
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione (CID 86579073) is 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione is Cc1cn(C[C@@H]2C[C@H](O)C2(O)O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione?
The InChIKey is HDNYYZBDPRGALQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-3-12(9(15)11-8(5)14)4-6-2-7(13)10(6,16)17/h3,6-7,13,16-17H,2,4H2,1H3,(H,11,14,15)/t6-,7-/m0/s1.
What are the key properties of 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione?
5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -2.09, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[(1S,3S)-2,2,3-trihydroxycyclobutyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 86579073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).