1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea

C12H20N4O4 — CID 136511103

IUPAC1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1nc(CCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O4/c17-6-2-1-4-9-8-10(19)15-11(14-9)16-12(20)13-5-3-7-18/h8,17-18H,1-7H2,(H3,13,14,15,16,19,20)
InChIKeyIPLZAXYBBUZEDQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.41
Rot. Bonds8

About 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea

1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea (PubChem CID 136511103) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea
PubChem CID136511103
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)Nc1nc(CCCCO)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O4/c17-6-2-1-4-9-8-10(19)15-11(14-9)16-12(20)13-5-3-7-18/h8,17-18H,1-7H2,(H3,13,14,15,16,19,20)
InChIKeyIPLZAXYBBUZEDQ-UHFFFAOYSA-N
XLogP-0.41
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea (CID 136511103) is 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)Nc1nc(CCCCO)cc(=O)[nH]1.
What is the InChIKey of 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea?
The InChIKey is IPLZAXYBBUZEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c17-6-2-1-4-9-8-10(19)15-11(14-9)16-12(20)13-5-3-7-18/h8,17-18H,1-7H2,(H3,13,14,15,16,19,20).
What are the key properties of 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea?
1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea has a molecular weight of 284.32 g/mol, XLogP of -0.41, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybutyl)-6-oxo-1H-pyrimidin-2-yl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 136511103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).