4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one

C10H14IN3O2 — CID 136870656

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyGERCQOKKDGZWBF-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.35
Rot. Bonds2

About 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one

4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136870656) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136870656
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H14IN3O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyGERCQOKKDGZWBF-UHFFFAOYSA-N
XLogP1.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824069
5-bromo-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870655
5-chloro-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870657
5-amino-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870666
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788
4-[(2,3-dimethyloxolan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136948171
5-iodo-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
CID 136956961
5-iodo-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957044
5-iodo-4-[1-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136957312
5-iodo-4-[methyl-(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971519
5-iodo-4-[(4-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136971605

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136870656) is 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one is CC1OCCC1(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GERCQOKKDGZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-6-10(2,3-4-16-6)14-8-7(11)9(15)13-5-12-8/h5-6H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 335.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).