4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one

C9H14IN3O2 — CID 136956013

IUPAC4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeySIXBNQWBRZOZMI-UHFFFAOYSA-N
MW323.13 g/mol
LogP1.21
Rot. Bonds6

About 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one

4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136956013) has the molecular formula C9H14IN3O2 and a molecular weight of 323.13 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136956013
Molecular FormulaC9H14IN3O2
Molecular Weight323.13 g/mol
Exact Mass323.01
IUPAC Name4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCOCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN3O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeySIXBNQWBRZOZMI-UHFFFAOYSA-N
XLogP1.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.13
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxypropylamino)-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

4-(3-aminopropoxy)-5-iodo-1H-pyrimidin-6-one
CID 114586372
4-[3-(dimethylamino)propoxy]-5-iodo-1H-pyrimidin-6-one
CID 114676276
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-iodo-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136689231
4-[(3-ethoxycyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136696629
5-iodo-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696638
4-[3-(2-chloroethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730521
4-[3-(2-hydroxyethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730528
4-[3-(2-aminoethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136730540
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
5-iodo-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820293

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one (CID 136956013) is 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one is CCOCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is SIXBNQWBRZOZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O2/c1-2-15-5-3-4-11-8-7(10)9(14)13-6-12-8/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one?
4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 323.13 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136956013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).