1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol

C16H20N4O5 — CID 142134267

IUPAC1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol
SMILESO=C(NCc1ccccc1)Nc1ccnc(=O)[nH]1.OCC1OCCO1
InChIInChI=1S/C12H12N4O2.C4H8O3/c17-11-13-7-6-10(15-11)16-12(18)14-8-9-4-2-1-3-5-9;5-3-4-6-1-2-7-4/h1-7H,8H2,(H3,13,14,15,16,17,18);4-5H,1-3H2
InChIKeyFZTLMZNVUVCKGO-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.44
Rot. Bonds4

About 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol

1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol (PubChem CID 142134267) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol
PubChem CID142134267
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Name1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol
SMILESO=C(NCc1ccccc1)Nc1ccnc(=O)[nH]1.OCC1OCCO1
InChIInChI=1S/C12H12N4O2.C4H8O3/c17-11-13-7-6-10(15-11)16-12(18)14-8-9-4-2-1-3-5-9;5-3-4-6-1-2-7-4/h1-7H,8H2,(H3,13,14,15,16,17,18);4-5H,1-3H2
InChIKeyFZTLMZNVUVCKGO-UHFFFAOYSA-N
XLogP0.44
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol?
The IUPAC name of 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol (CID 142134267) is 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol.
What is the SMILES notation for 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol?
The canonical SMILES for 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol is O=C(NCc1ccccc1)Nc1ccnc(=O)[nH]1.OCC1OCCO1.
What is the InChIKey of 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol?
The InChIKey is FZTLMZNVUVCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2.C4H8O3/c17-11-13-7-6-10(15-11)16-12(18)14-8-9-4-2-1-3-5-9;5-3-4-6-1-2-7-4/h1-7H,8H2,(H3,13,14,15,16,17,18);4-5H,1-3H2.
What are the key properties of 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol?
1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol has a molecular weight of 348.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-1H-pyrimidin-6-yl)urea;1,3-dioxolan-2-ylmethanol is sourced from PubChem (CID 142134267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).