2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine

C14H14F2IN3 — CID 66305726

IUPAC2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1I
InChIInChI=1S/C14H14F2IN3/c1-3-18-14-13(17)8(2)19-12(20-14)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyLJIMKPKIHGWDAG-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.69
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine

2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine (PubChem CID 66305726) has the molecular formula C14H14F2IN3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
PubChem CID66305726
Molecular FormulaC14H14F2IN3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
SMILESCCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1I
InChIInChI=1S/C14H14F2IN3/c1-3-18-14-13(17)8(2)19-12(20-14)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyLJIMKPKIHGWDAG-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 53.69
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-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000005
2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192538
2-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305117
5-iodo-6-methyl-2-[(4-methylphenyl)methyl]-N-propylpyrimidin-4-amine
CID 66306718
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305379
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
N-ethyl-2-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-amine
CID 66302302
2-[(3,5-difluorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
N-ethyl-5-iodo-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66305523
4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 63869112
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307299
N-ethyl-5-iodo-2-[(4-methylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66300931

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine (CID 66305726) is 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine is CCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1I.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
The InChIKey is LJIMKPKIHGWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-3-18-14-13(17)8(2)19-12(20-14)6-9-4-10(15)7-11(16)5-9/h4-5,7H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine?
2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66305726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).