5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

C11H16IN3O2 — CID 137005005

IUPAC5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)C1CCOCC1
InChIInChI=1S/C11H16IN3O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyIJTVSIPULUTAMW-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.60
Rot. Bonds3

About 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one

5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137005005) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137005005
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)C1CCOCC1
InChIInChI=1S/C11H16IN3O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyIJTVSIPULUTAMW-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-4-[1-(oxan-4-yl)ethylamino]-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

4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723605
5-chloro-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738997
4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136739000
5-iodo-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756217
5-iodo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786681
5-iodo-4-[(3-methyloxan-3-yl)amino]-1H-pyrimidin-6-one
CID 136824069
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136824075
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-iodo-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857177
5-iodo-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905788
5-iodo-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136956145
5-iodo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956244

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 137005005) is 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1I)C1CCOCC1.
What is the InChIKey of 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is IJTVSIPULUTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-7(8-2-4-17-5-3-8)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one?
5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 349.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137005005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).