2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine

C14H14F2IN3 — CID 115528487

IUPAC2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cccc(C(F)F)c2)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-2-4-10-11(17)13(18)20-14(19-10)9-6-3-5-8(7-9)12(15)16/h3,5-7,12H,2,4H2,1H3,(H2,18,19,20)
InChIKeyOXHROXRMZQARKW-UHFFFAOYSA-N
MW389.19 g/mol
LogP4.22
Rot. Bonds4

About 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine

2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 115528487) has the molecular formula C14H14F2IN3 and a molecular weight of 389.19 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID115528487
Molecular FormulaC14H14F2IN3
Molecular Weight389.19 g/mol
Exact Mass389.02
IUPAC Name2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cccc(C(F)F)c2)nc(N)c1I
InChIInChI=1S/C14H14F2IN3/c1-2-4-10-11(17)13(18)20-14(19-10)9-6-3-5-8(7-9)12(15)16/h3,5-7,12H,2,4H2,1H3,(H2,18,19,20)
InChIKeyOXHROXRMZQARKW-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
2-[2-(difluoromethoxy)phenyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66297684
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
CID 66295374
5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823382
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571
5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66307763
2-[3-(difluoromethyl)phenyl]-6-methylpyrimidin-4-amine
CID 113329089
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
2-[3-(difluoromethyl)phenyl]-6-propan-2-ylpyrimidin-4-amine
CID 115528416
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570532

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine (CID 115528487) is 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2cccc(C(F)F)c2)nc(N)c1I.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is OXHROXRMZQARKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2IN3/c1-2-4-10-11(17)13(18)20-14(19-10)9-6-3-5-8(7-9)12(15)16/h3,5-7,12H,2,4H2,1H3,(H2,18,19,20).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 389.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 115528487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).