4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one

C10H17IN4O2 — CID 136857372

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-10(17,5-15(2)3)4-12-8-7(11)9(16)14-6-13-8/h6,17H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyJTBKUINCCOQJQD-UHFFFAOYSA-N
MW352.18 g/mol
LogP0.10
Rot. Bonds5

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136857372) has the molecular formula C10H17IN4O2 and a molecular weight of 352.18 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136857372
Molecular FormulaC10H17IN4O2
Molecular Weight352.18 g/mol
Exact Mass352.04
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CC(C)(O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O2/c1-10(17,5-15(2)3)4-12-8-7(11)9(16)14-6-13-8/h6,17H,4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyJTBKUINCCOQJQD-UHFFFAOYSA-N
XLogP0.10
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one (CID 136857372) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one is CN(C)CC(C)(O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is JTBKUINCCOQJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O2/c1-10(17,5-15(2)3)4-12-8-7(11)9(16)14-6-13-8/h6,17H,4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 352.18 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136857372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).