N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

C13H20IN3O — CID 66301056

IUPACN,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCCO2)nc(CC)c1I
InChIInChI=1S/C13H20IN3O/c1-3-10-12(14)13(15-4-2)17-11(16-10)8-9-6-5-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyPRYXEESYXZGTJF-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.80
Rot. Bonds5

About N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66301056) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID66301056
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC NameN,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCCO2)nc(CC)c1I
InChIInChI=1S/C13H20IN3O/c1-3-10-12(14)13(15-4-2)17-11(16-10)8-9-6-5-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyPRYXEESYXZGTJF-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine 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

6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
5-iodo-6-(methoxymethyl)-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66303027
5-bromo-N-methyl-2-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 66307742
2-[4,6-diethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 79219301
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
2-(2,2-dimethylpropyl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66299095
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
[5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62251234
N,6-diethyl-5-iodo-2-(2-methylpropyl)pyrimidin-4-amine
CID 66299485
6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 55188916

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 66301056) is N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCNc1nc(CC2CCCO2)nc(CC)c1I.
What is the InChIKey of N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PRYXEESYXZGTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c1-3-10-12(14)13(15-4-2)17-11(16-10)8-9-6-5-7-18-9/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 361.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).