N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine

C13H22IN3O — CID 66307186

IUPACN-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
SMILESCCCOCc1nc(CCC)c(I)c(NCC)n1
InChIInChI=1S/C13H22IN3O/c1-4-7-10-12(14)13(15-6-3)17-11(16-10)9-18-8-5-2/h4-9H2,1-3H3,(H,15,16,17)
InChIKeyJBVMBPGRWRPWOD-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.39
Rot. Bonds8

About N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine

N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine (PubChem CID 66307186) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
PubChem CID66307186
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC NameN-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine
SMILESCCCOCc1nc(CCC)c(I)c(NCC)n1
InChIInChI=1S/C13H22IN3O/c1-4-7-10-12(14)13(15-6-3)17-11(16-10)9-18-8-5-2/h4-9H2,1-3H3,(H,15,16,17)
InChIKeyJBVMBPGRWRPWOD-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(propoxymethyl)-N,6-dipropylpyrimidin-4-amine
CID 66304606
2-(ethoxymethyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66305995
6-cyclopropyl-N-ethyl-5-iodo-2-(propoxymethyl)pyrimidin-4-amine
CID 66304213
N-ethyl-5-iodo-2-(phenoxymethyl)-6-propylpyrimidin-4-amine
CID 66306782
5-iodo-N-methyl-6-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476269
N,6-diethyl-5-iodo-2-(2-methoxyethyl)pyrimidin-4-amine
CID 66298694
2-benzyl-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66306395
N-ethyl-5-iodo-6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150444
2-[2-(2,2-difluoroethoxy)ethyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 103150418
N-ethyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 55201490
N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine (CID 66307186) is N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine is CCCOCc1nc(CCC)c(I)c(NCC)n1.
What is the InChIKey of N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine?
The InChIKey is JBVMBPGRWRPWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22IN3O/c1-4-7-10-12(14)13(15-6-3)17-11(16-10)9-18-8-5-2/h4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine?
N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine has a molecular weight of 363.24 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-iodo-2-(propoxymethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).