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

C10H16IN3O2 — CID 136857356

IUPAC4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeySNOCOUJTPLNLRT-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.20
Rot. Bonds5

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

4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136857356) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136857356
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC(C)(CCO)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16)
InChIKeySNOCOUJTPLNLRT-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772471
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136847975
5-amino-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857350
5-bromo-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857351
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857355
5-chloro-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136857357
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857364

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136857356) is 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one is CC(C)(CCO)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SNOCOUJTPLNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-10(2,3-4-15)5-12-8-7(11)9(16)14-6-13-8/h6,15H,3-5H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136857356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).