4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O2 — CID 114676273

IUPAC4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVMXDQIFAWQBQKT-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.10
Rot. Bonds6

About 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one

4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (PubChem CID 114676273) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
PubChem CID114676273
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyVMXDQIFAWQBQKT-UHFFFAOYSA-N
XLogP1.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethoxy]-1H-pyrazin-2-one
CID 103241414
5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one
CID 114676343
4-[bis(2-ethoxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958061
N,N-diethyl-2-(5-iodopyrimidin-4-yl)oxyethanamine
CID 66320495
4-[2-bromoethyl(pentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136972026
4-[2-bromoethyl(butyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971985
4-[2-bromoethyl(propan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136971962
4-(N-ethylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970661
6-[2-(diethylamino)ethoxy]-5-methylpyridin-3-amine
CID 62477090
4-(1-fluoroethyl)-5-iodo-1H-pyrimidin-6-one
CID 135433439
5-iodo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102634996
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one (CID 114676273) is 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is CCN(CC)CCOc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VMXDQIFAWQBQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114676273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).