4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

C8H12IN3O2 — CID 136957726

IUPAC4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14)
InChIKeyIBPAEAFEJTVCNH-UHFFFAOYSA-N
MW309.11 g/mol
LogP0.19
Rot. Bonds3

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

4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957726) has the molecular formula C8H12IN3O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957726
Molecular FormulaC8H12IN3O2
Molecular Weight309.11 g/mol
Exact Mass309.00
IUPAC Name4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(O)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14)
InChIKeyIBPAEAFEJTVCNH-UHFFFAOYSA-N
XLogP0.19
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737798
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737805
5-iodo-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790774
4-[(3,3-difluoro-2-hydroxypropyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136790785
3-[2-Hydroxy-3-(methylamino)propyl]-5-iodopyrimidin-4-one
CID 66308842
3-[3-(Ethylamino)-2-hydroxypropyl]-5-iodopyrimidin-4-one
CID 66309061
3-[2-Hydroxy-3-(propylamino)propyl]-5-iodopyrimidin-4-one
CID 66309276
3-[2-Hydroxy-3-(methylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341782
2-Amino-6-(2-hydroxypropylamino)-3-methylpyrimidin-4-one
CID 130626255
4-[(3S)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689234
4-[(3R)-3-hydroxypyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136689235
4-(3,4-dihydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136766524

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957726) is 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CC(O)CN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IBPAEAFEJTVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O2/c1-5(13)3-12(2)7-6(9)8(14)11-4-10-7/h4-5,13H,3H2,1-2H3,(H,10,11,14).
What are the key properties of 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 309.11 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).