2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

C14H14F2IN3 — CID 66305379

IUPAC2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cc(F)cc(F)c2)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-2-3-11-13(17)14(18)20-12(19-11)6-8-4-9(15)7-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H2,18,19,20)
InChIKeyPFOLAIQHDQMVBL-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.48
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66305379) has the molecular formula C14H14F2IN3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66305379
Molecular FormulaC14H14F2IN3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC Name2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2cc(F)cc(F)c2)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-2-3-11-13(17)14(18)20-12(19-11)6-8-4-9(15)7-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H2,18,19,20)
InChIKeyPFOLAIQHDQMVBL-UHFFFAOYSA-N
XLogP3.48
TPSA51.80 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 ≤ 53.48
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]-6-ethyl-5-iodopyrimidin-4-amine
CID 66300055
2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66306766
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 79089175
2-[(3-fluorophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305382
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305972
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
2-[(3,5-difluorophenyl)methyl]-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 66305726
2-[(3,5-dimethylphenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303635
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (CID 66305379) is 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(Cc2cc(F)cc(F)c2)nc(N)c1I.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is PFOLAIQHDQMVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-2-3-11-13(17)14(18)20-12(19-11)6-8-4-9(15)7-10(16)5-8/h4-5,7H,2-3,6H2,1H3,(H2,18,19,20).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 3.48, 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]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).