4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O2 — CID 136956969

IUPAC4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyODLIGQQDKGPSQX-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.20
Rot. Bonds6

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

4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956969) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136956969
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyODLIGQQDKGPSQX-UHFFFAOYSA-N
XLogP1.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.20
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]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
4-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
4-[4-(1-hydroxyethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772452
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772471
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-4,4-dimethylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847975

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136956969) is 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one is CCC(CCO)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ODLIGQQDKGPSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-2-7(3-4-15)5-12-9-8(11)10(16)14-6-13-9/h6-7,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-hydroxybutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).