5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

C11H13FN4 — CID 141123766

IUPAC5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ncc(F)cn2)n1C(C)C
InChIInChI=1S/C11H13FN4/c1-7(2)16-8(3)13-6-10(16)11-14-4-9(12)5-15-11/h4-7H,1-3H3
InChIKeySDYDBBJUOJZGCV-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds2

About 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 141123766) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID141123766
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ncc(F)cn2)n1C(C)C
InChIInChI=1S/C11H13FN4/c1-7(2)16-8(3)13-6-10(16)11-14-4-9(12)5-15-11/h4-7H,1-3H3
InChIKeySDYDBBJUOJZGCV-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methylimidazo[1,2-a]pyrimidine
CID 12323629
7H-Purine, 7-methyl-
CID 140372
9-methyl-9H-purine
CID 140687
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
2,7,8-Trimethyl-7H-purine
CID 10844724
4-Pyrimidinamine, N-cyclopropyl-2-(1H-imidazol-1-yl)-N-methyl-, monohydrochloride
CID 3071749
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151
3-(Trifluoromethyl)imidazo[1,5-a]pyrazine
CID 34176321
N'-(3-imidazol-1-ylpropyl)pyrazine-2-carboximidamide
CID 45276252
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
2-[[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
CID 71932961

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (CID 141123766) is 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is Cc1ncc(-c2ncc(F)cn2)n1C(C)C.
What is the InChIKey of 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is SDYDBBJUOJZGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-7(2)16-8(3)13-6-10(16)11-14-4-9(12)5-15-11/h4-7H,1-3H3.
What are the key properties of 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 220.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 141123766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).