4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine

C9H10FN5 — CID 80856790

IUPAC4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCc1ncn(-c2nc(N)ncc2F)c1C
InChIInChI=1S/C9H10FN5/c1-5-6(2)15(4-13-5)8-7(10)3-12-9(11)14-8/h3-4H,1-2H3,(H2,11,12,14)
InChIKeyOBHUGVCNPHJTAR-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.00
Rot. Bonds1

About 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine

4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine (PubChem CID 80856790) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine
PubChem CID80856790
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine
SMILESCc1ncn(-c2nc(N)ncc2F)c1C
InChIInChI=1S/C9H10FN5/c1-5-6(2)15(4-13-5)8-7(10)3-12-9(11)14-8/h3-4H,1-2H3,(H2,11,12,14)
InChIKeyOBHUGVCNPHJTAR-UHFFFAOYSA-N
XLogP1.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine (CID 80856790) is 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine is Cc1ncn(-c2nc(N)ncc2F)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is OBHUGVCNPHJTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-5-6(2)15(4-13-5)8-7(10)3-12-9(11)14-8/h3-4H,1-2H3,(H2,11,12,14).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine?
4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 207.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80856790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).