1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione

C11H14N2O3 — CID 5279520

IUPAC1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
SMILESC=C1[C@H](CO)[C@H]1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-6-3-13(11(16)12-10(6)15)4-8-7(2)9(8)5-14/h3,8-9,14H,2,4-5H2,1H3,(H,12,15,16)/t8-,9-/m0/s1
InChIKeySUBLKMTYYHCXDV-IUCAKERBSA-N
MW222.24 g/mol
LogP-0.36
Rot. Bonds3

About 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione

1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5279520) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID5279520
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
SMILESC=C1[C@H](CO)[C@H]1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-6-3-13(11(16)12-10(6)15)4-8-7(2)9(8)5-14/h3,8-9,14H,2,4-5H2,1H3,(H,12,15,16)/t8-,9-/m0/s1
InChIKeySUBLKMTYYHCXDV-IUCAKERBSA-N
XLogP-0.36
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione (CID 5279520) is 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione is C=C1[C@H](CO)[C@H]1Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is SUBLKMTYYHCXDV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-6-3-13(11(16)12-10(6)15)4-8-7(2)9(8)5-14/h3,8-9,14H,2,4-5H2,1H3,(H,12,15,16)/t8-,9-/m0/s1.
What are the key properties of 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5279520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).