4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one

C9H12IN3O — CID 136857219

IUPAC4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1CC1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H12IN3O/c1-2-5-3-6(5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyFTKXBGYVVBNILH-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.58
Rot. Bonds3

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

4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136857219) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136857219
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCC1CC1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H12IN3O/c1-2-5-3-6(5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14)
InChIKeyFTKXBGYVVBNILH-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-ethylcyclopropyl)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-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870770
4-[(2,3-dimethylcyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956847
4-[(3-aminocyclobutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136977567
4-[(2-hydroxycyclopentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137269982
5-amino-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870764
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
4-(1-cyclopropylbutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956690
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
5-iodo-4-(pyrrolidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136978824
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
4-[(2-aminocyclopropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136977546
4-[[1-chloro-2-(chloromethyl)butan-2-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136918129

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136857219) is 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one is CCC1CC1Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is FTKXBGYVVBNILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-2-5-3-6(5)13-8-7(10)9(14)12-4-11-8/h4-6H,2-3H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 305.12 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclopropyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136857219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).