4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one

C11H18IN3O2 — CID 136704099

IUPAC4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyLZDUVKFXLPYFOP-UHFFFAOYSA-N
MW351.19 g/mol
LogP1.59
Rot. Bonds7

About 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one

4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136704099) has the molecular formula C11H18IN3O2 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136704099
Molecular FormulaC11H18IN3O2
Molecular Weight351.19 g/mol
Exact Mass351.04
IUPAC Name4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H18IN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyLZDUVKFXLPYFOP-UHFFFAOYSA-N
XLogP1.59
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703835
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746823
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746834
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
4-[(3-ethyl-2-hydroxypentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136817761
4-[(3-hydroxycyclohexyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136823133
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847966
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857356

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one (CID 136704099) is 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one is CCCC(CCO)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LZDUVKFXLPYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one?
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 351.19 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136704099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).