6-ethyl-5-iodo-2-propylpyrimidin-4-amine

C9H14IN3 — CID 66298675

IUPAC6-ethyl-5-iodo-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(I)c(CC)n1
InChIInChI=1S/C9H14IN3/c1-3-5-7-12-6(4-2)8(10)9(11)13-7/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyRICRJQDAZDDTII-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.18
Rot. Bonds3

About 6-ethyl-5-iodo-2-propylpyrimidin-4-amine

6-ethyl-5-iodo-2-propylpyrimidin-4-amine (PubChem CID 66298675) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 6-ethyl-5-iodo-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-iodo-2-propylpyrimidin-4-amine
PubChem CID66298675
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name6-ethyl-5-iodo-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(I)c(CC)n1
InChIInChI=1S/C9H14IN3/c1-3-5-7-12-6(4-2)8(10)9(11)13-7/h3-5H2,1-2H3,(H2,11,12,13)
InChIKeyRICRJQDAZDDTII-UHFFFAOYSA-N
XLogP2.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 79089175
2-[(3,5-difluorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
6-ethyl-5-iodo-2-pentan-3-ylpyrimidin-4-amine
CID 66295797
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66306766
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305379
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305972
5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66297300
2-butyl-4-chloro-6-ethyl-5-iodopyrimidine
CID 79405219
5-iodo-2-(oxan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 113391678

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-iodo-2-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-iodo-2-propylpyrimidin-4-amine (CID 66298675) is 6-ethyl-5-iodo-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-iodo-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-iodo-2-propylpyrimidin-4-amine is CCCc1nc(N)c(I)c(CC)n1.
What is the InChIKey of 6-ethyl-5-iodo-2-propylpyrimidin-4-amine?
The InChIKey is RICRJQDAZDDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-3-5-7-12-6(4-2)8(10)9(11)13-7/h3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 6-ethyl-5-iodo-2-propylpyrimidin-4-amine?
6-ethyl-5-iodo-2-propylpyrimidin-4-amine has a molecular weight of 291.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-iodo-2-propylpyrimidin-4-amine is sourced from PubChem (CID 66298675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).