(5-iodopyrimidin-4-yl)carbamic acid

C5H4IN3O2 — CID 18617667

IUPAC(5-iodopyrimidin-4-yl)carbamic acid
SMILESO=C(O)Nc1ncncc1I
InChIInChI=1S/C5H4IN3O2/c6-3-1-7-2-8-4(3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9)
InChIKeyTWBQRTSSKBXRFG-UHFFFAOYSA-N
MW265.01 g/mol
LogP1.17
Rot. Bonds1

About (5-iodopyrimidin-4-yl)carbamic acid

(5-iodopyrimidin-4-yl)carbamic acid (PubChem CID 18617667) has the molecular formula C5H4IN3O2 and a molecular weight of 265.01 g/mol. Its IUPAC name is (5-iodopyrimidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(5-iodopyrimidin-4-yl)carbamic acid
PubChem CID18617667
Molecular FormulaC5H4IN3O2
Molecular Weight265.01 g/mol
Exact Mass264.93
IUPAC Name(5-iodopyrimidin-4-yl)carbamic acid
SMILESO=C(O)Nc1ncncc1I
InChIInChI=1S/C5H4IN3O2/c6-3-1-7-2-8-4(3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9)
InChIKeyTWBQRTSSKBXRFG-UHFFFAOYSA-N
XLogP1.17
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodopyrimidin-4-yl)carbamic acid?
The IUPAC name of (5-iodopyrimidin-4-yl)carbamic acid (CID 18617667) is (5-iodopyrimidin-4-yl)carbamic acid.
What is the SMILES notation for (5-iodopyrimidin-4-yl)carbamic acid?
The canonical SMILES for (5-iodopyrimidin-4-yl)carbamic acid is O=C(O)Nc1ncncc1I.
What is the InChIKey of (5-iodopyrimidin-4-yl)carbamic acid?
The InChIKey is TWBQRTSSKBXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O2/c6-3-1-7-2-8-4(3)9-5(10)11/h1-2H,(H,10,11)(H,7,8,9).
What are the key properties of (5-iodopyrimidin-4-yl)carbamic acid?
(5-iodopyrimidin-4-yl)carbamic acid has a molecular weight of 265.01 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodopyrimidin-4-yl)carbamic acid is sourced from PubChem (CID 18617667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).