4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine

C14H15FIN3 — CID 163449444

IUPAC4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1C=C(c2cc(I)ncc2F)N=C(C)N1C(C)C
InChIInChI=1S/C14H15FIN3/c1-8(2)19-9(3)5-13(18-10(19)4)11-6-14(16)17-7-12(11)15/h5-8H,3H2,1-2,4H3
InChIKeyBFIZTQJSIDGSJL-UHFFFAOYSA-N
MW371.20 g/mol
LogP3.82
Rot. Bonds2

About 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine

4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine (PubChem CID 163449444) has the molecular formula C14H15FIN3 and a molecular weight of 371.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine
PubChem CID163449444
Molecular FormulaC14H15FIN3
Molecular Weight371.20 g/mol
Exact Mass371.03
IUPAC Name4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine
SMILESC=C1C=C(c2cc(I)ncc2F)N=C(C)N1C(C)C
InChIInChI=1S/C14H15FIN3/c1-8(2)19-9(3)5-13(18-10(19)4)11-6-14(16)17-7-12(11)15/h5-8H,3H2,1-2,4H3
InChIKeyBFIZTQJSIDGSJL-UHFFFAOYSA-N
XLogP3.82
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-iodo-4-pyridinyl)acetic acid
CID 130902433
4-fluoro-6-iodopyridine-3-thiol
CID 131118261
4-fluoro-6-iodopyridin-3-amine
CID 131075476
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-methylpyridin-2-amine
CID 135162251
4,5-difluoro-2-propan-2-ylpyridine
CID 170611007
ethyl 4-fluoro-6-iodopyridine-3-carboxylate
CID 131189599
2-[2,4-difluoro-5-(5-methyl-2-pyridinyl)phenyl]-5-methylpyridine
CID 71045655
2-(difluoromethyl)-5-fluoro-3-iodo-4-methylpyridine
CID 130079888
5,6-dimethyl-2-propan-2-ylbenzotriazole;ethene
CID 157443073
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
8-fluoro-2-iodo-6-methylquinoline
CID 167163391
4-chloro-5-(difluoromethyl)-2-iodopyridine
CID 118845024

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine?
The IUPAC name of 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine (CID 163449444) is 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine?
The canonical SMILES for 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine is C=C1C=C(c2cc(I)ncc2F)N=C(C)N1C(C)C.
What is the InChIKey of 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine?
The InChIKey is BFIZTQJSIDGSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FIN3/c1-8(2)19-9(3)5-13(18-10(19)4)11-6-14(16)17-7-12(11)15/h5-8H,3H2,1-2,4H3.
What are the key properties of 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine?
4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine has a molecular weight of 371.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-iodo-4-pyridinyl)-2-methyl-6-methylidene-1-propan-2-ylpyrimidine is sourced from PubChem (CID 163449444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).