2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine

C14H14F2IN3O — CID 66296298

IUPAC2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OC(F)F)ncc1I
InChIInChI=1S/C14H14F2IN3O/c1-2-7-18-13-10(17)8-19-12(20-13)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,14H,2,7H2,1H3,(H,18,19,20)
InChIKeyLXHKJQMHMUXVSD-UHFFFAOYSA-N
MW405.19 g/mol
LogP4.17
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine

2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66296298) has the molecular formula C14H14F2IN3O and a molecular weight of 405.19 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66296298
Molecular FormulaC14H14F2IN3O
Molecular Weight405.19 g/mol
Exact Mass405.01
IUPAC Name2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2OC(F)F)ncc1I
InChIInChI=1S/C14H14F2IN3O/c1-2-7-18-13-10(17)8-19-12(20-13)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,14H,2,7H2,1H3,(H,18,19,20)
InChIKeyLXHKJQMHMUXVSD-UHFFFAOYSA-N
XLogP4.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
2-(2-chlorophenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66303127
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
5-bromo-2-(2-ethoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66296687
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684
[2-[2-(difluoromethoxy)phenyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62250939
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine (CID 66296298) is 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2OC(F)F)ncc1I.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is LXHKJQMHMUXVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3O/c1-2-7-18-13-10(17)8-19-12(20-13)9-5-3-4-6-11(9)21-14(15)16/h3-6,8,14H,2,7H2,1H3,(H,18,19,20).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine?
2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 405.19 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66296298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).