4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O2 — CID 136819392

IUPAC4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(C)(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyDOIVAJZTVWYFHN-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.34
Rot. Bonds5

About 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136819392) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136819392
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(C)(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyDOIVAJZTVWYFHN-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136819392) is 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is CCCC(C)(O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DOIVAJZTVWYFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-3-4-10(2,16)5-12-8-7(11)9(15)14-6-13-8/h6,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136819392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).